12-methyl-8-(methylamino)-N-(thiophen-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide

C15H14N6OS2 — CID 25263291

IUPAC12-methyl-8-(methylamino)-N-(thiophen-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide
SMILESCNc1nc2sc(C(=O)NCc3cccs3)nc2c2c1ncn2C
InChIInChI=1S/C15H14N6OS2/c1-16-12-9-11(21(2)7-18-9)10-14(20-12)24-15(19-10)13(22)17-6-8-4-3-5-23-8/h3-5,7H,6H2,1-2H3,(H,16,20)(H,17,22)
InChIKeyLLZMPAOVEQJHBL-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.61
Rot. Bonds4

About 12-methyl-8-(methylamino)-N-(thiophen-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide

12-methyl-8-(methylamino)-N-(thiophen-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide (PubChem CID 25263291) has the molecular formula C15H14N6OS2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 12-methyl-8-(methylamino)-N-(thiophen-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide.

Molecular Properties

Compound Name12-methyl-8-(methylamino)-N-(thiophen-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide
PubChem CID25263291
Molecular FormulaC15H14N6OS2
Molecular Weight358.45 g/mol
Exact Mass358.07
IUPAC Name12-methyl-8-(methylamino)-N-(thiophen-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide
SMILESCNc1nc2sc(C(=O)NCc3cccs3)nc2c2c1ncn2C
InChIInChI=1S/C15H14N6OS2/c1-16-12-9-11(21(2)7-18-9)10-14(20-12)24-15(19-10)13(22)17-6-8-4-3-5-23-8/h3-5,7H,6H2,1-2H3,(H,16,20)(H,17,22)
InChIKeyLLZMPAOVEQJHBL-UHFFFAOYSA-N
XLogP2.61
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 12-methyl-8-(methylamino)-N-(thiophen-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide with MolForge

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Related Compounds

N,12-dimethyl-4-(methylsulfanyl)-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 11448486
N-({2-fluoro-5-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-4-yl]phenyl}methyl)acetamide
CID 21083893
N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-4-yl]phenyl}methyl)acetamide
CID 21083895
N,12-dimethyl-4-(1,2,3,6-tetrahydropyridin-1-yl)-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 25263287
N,12-dimethyl-8-(methylamino)-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide
CID 25263288
N-ethyl-12-methyl-8-(methylamino)-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide
CID 25263289
N-cyclopentyl-12-methyl-8-(methylamino)-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide
CID 25263290
N-(2-{[4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-yl]amino}ethyl)acetamide
CID 25263292
N-(2-aminoethyl)-12-methyl-4-(1,3-thiazol-2-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093427
N,N-diethyl-12-methyl-8-(methylamino)-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide
CID 21083908
1-Pyrrolidin-1-yl-2-[4-(3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-8-yl)piperazin-1-yl]ethanone
CID 10737848
N-[1-[3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-4-yl]phenyl]ethyl]acetamide
CID 21083887

Frequently Asked Questions

What is the IUPAC name of 12-methyl-8-(methylamino)-N-(thiophen-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide?
The IUPAC name of 12-methyl-8-(methylamino)-N-(thiophen-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide (CID 25263291) is 12-methyl-8-(methylamino)-N-(thiophen-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide.
What is the SMILES notation for 12-methyl-8-(methylamino)-N-(thiophen-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide?
The canonical SMILES for 12-methyl-8-(methylamino)-N-(thiophen-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide is CNc1nc2sc(C(=O)NCc3cccs3)nc2c2c1ncn2C.
What is the InChIKey of 12-methyl-8-(methylamino)-N-(thiophen-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide?
The InChIKey is LLZMPAOVEQJHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6OS2/c1-16-12-9-11(21(2)7-18-9)10-14(20-12)24-15(19-10)13(22)17-6-8-4-3-5-23-8/h3-5,7H,6H2,1-2H3,(H,16,20)(H,17,22).
What are the key properties of 12-methyl-8-(methylamino)-N-(thiophen-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide?
12-methyl-8-(methylamino)-N-(thiophen-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-8-(methylamino)-N-(thiophen-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide is sourced from PubChem (CID 25263291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).