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

C8H11N5S — CID 136949363

IUPACmethane;4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole
SMILESC.Cc1csc(C2Nc3ncnn32)n1
InChIInChI=1S/C7H7N5S.CH4/c1-4-2-13-6(10-4)5-11-7-8-3-9-12(5)7;/h2-3,5H,1H3,(H,8,9,11);1H4
InChIKeyMCMSDZKVSIOGFV-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.65
Rot. Bonds1

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

methane;4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole (PubChem CID 136949363) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is methane;4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole.

Molecular Properties

Compound Namemethane;4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole
PubChem CID136949363
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Namemethane;4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole
SMILESC.Cc1csc(C2Nc3ncnn32)n1
InChIInChI=1S/C7H7N5S.CH4/c1-4-2-13-6(10-4)5-11-7-8-3-9-12(5)7;/h2-3,5H,1H3,(H,8,9,11);1H4
InChIKeyMCMSDZKVSIOGFV-UHFFFAOYSA-N
XLogP1.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole
CID 136949364
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 methane;4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole?
The IUPAC name of methane;4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole (CID 136949363) is methane;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 methane;4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole?
The canonical SMILES for methane;4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole is C.Cc1csc(C2Nc3ncnn32)n1.
What is the InChIKey of methane;4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole?
The InChIKey is MCMSDZKVSIOGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5S.CH4/c1-4-2-13-6(10-4)5-11-7-8-3-9-12(5)7;/h2-3,5H,1H3,(H,8,9,11);1H4.
What are the key properties of methane;4-methyl-2-(1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl)-1,3-thiazole?
methane;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 209.28 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;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 136949363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).