N-(4-methyl-1,3-thiazol-2-yl)-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide

C20H22N6OS — CID 23602991

IUPACN-(4-methyl-1,3-thiazol-2-yl)-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide
SMILESCc1csc(NC(=O)CCc2c(C)nc3c4c(C)cc(C)nc4nn3c2C)n1
InChIInChI=1S/C20H22N6OS/c1-10-8-11(2)21-18-17(10)19-23-13(4)15(14(5)26(19)25-18)6-7-16(27)24-20-22-12(3)9-28-20/h8-9H,6-7H2,1-5H3,(H,22,24,27)
InChIKeyISXRXCGWDYTDFB-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.85
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide

N-(4-methyl-1,3-thiazol-2-yl)-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide (PubChem CID 23602991) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide
PubChem CID23602991
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide
SMILESCc1csc(NC(=O)CCc2c(C)nc3c4c(C)cc(C)nc4nn3c2C)n1
InChIInChI=1S/C20H22N6OS/c1-10-8-11(2)21-18-17(10)19-23-13(4)15(14(5)26(19)25-18)6-7-16(27)24-20-22-12(3)9-28-20/h8-9H,6-7H2,1-5H3,(H,22,24,27)
InChIKeyISXRXCGWDYTDFB-UHFFFAOYSA-N
XLogP3.85
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-methyl-1,3-thiazol-2-yl)-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide (CID 23602991) is N-(4-methyl-1,3-thiazol-2-yl)-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide is Cc1csc(NC(=O)CCc2c(C)nc3c4c(C)cc(C)nc4nn3c2C)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide?
The InChIKey is ISXRXCGWDYTDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6OS/c1-10-8-11(2)21-18-17(10)19-23-13(4)15(14(5)26(19)25-18)6-7-16(27)24-20-22-12(3)9-28-20/h8-9H,6-7H2,1-5H3,(H,22,24,27).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide?
N-(4-methyl-1,3-thiazol-2-yl)-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide has a molecular weight of 394.50 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide is sourced from PubChem (CID 23602991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).