4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole

C7H7N5S — CID 136949364

IUPAC4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole
SMILESCc1csc(C2Nc3ncnn32)n1
InChIInChI=1S/C7H7N5S/c1-4-2-13-6(10-4)5-11-7-8-3-9-12(5)7/h2-3,5H,1H3,(H,8,9,11)
InChIKeyPQWRVPFSVJCJLC-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.02
Rot. Bonds1

About 4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole

4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole (PubChem CID 136949364) has the molecular formula C7H7N5S and a molecular weight of 193.24 g/mol. Its IUPAC name is 4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole
PubChem CID136949364
Molecular FormulaC7H7N5S
Molecular Weight193.24 g/mol
Exact Mass193.04
IUPAC Name4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole
SMILESCc1csc(C2Nc3ncnn32)n1
InChIInChI=1S/C7H7N5S/c1-4-2-13-6(10-4)5-11-7-8-3-9-12(5)7/h2-3,5H,1H3,(H,8,9,11)
InChIKeyPQWRVPFSVJCJLC-UHFFFAOYSA-N
XLogP1.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole with MolForge

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Related Compounds

methane;4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole
CID 136949363
2-[3-(3-bromophenyl)-1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl]-4-methyl-1,3-thiazole;methane
CID 136949369
4-methyl-2-piperidin-4-yl-1,3-thiazole
CID 23404938
4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole
CID 93492448
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methyl-1,3-thiazole
CID 115777326
4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole
CID 58547619
4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole
CID 42078596
2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole
CID 19974066
1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 141271685
4-methyl-2-(3-methylidenecyclobutyl)-1,3-thiazole
CID 167193666
7-(2-methylphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2968590
(5S,7S)-5,7-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 758380

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole (CID 136949364) is 4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole is Cc1csc(C2Nc3ncnn32)n1.
What is the InChIKey of 4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole?
The InChIKey is PQWRVPFSVJCJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5S/c1-4-2-13-6(10-4)5-11-7-8-3-9-12(5)7/h2-3,5H,1H3,(H,8,9,11).
What are the key properties of 4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole?
4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole has a molecular weight of 193.24 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole is sourced from PubChem (CID 136949364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).