5-methyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide

C8H8N4OS — CID 110684009

IUPAC5-methyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)Nc1nccs1
InChIInChI=1S/C8H8N4OS/c1-5-6(11-4-10-5)7(13)12-8-9-2-3-14-8/h2-4H,1H3,(H,10,11)(H,9,12,13)
InChIKeyBRFBJKAEMCPTTB-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.43
Rot. Bonds2

About 5-methyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide

5-methyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide (PubChem CID 110684009) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 5-methyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide
PubChem CID110684009
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name5-methyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)Nc1nccs1
InChIInChI=1S/C8H8N4OS/c1-5-6(11-4-10-5)7(13)12-8-9-2-3-14-8/h2-4H,1H3,(H,10,11)(H,9,12,13)
InChIKeyBRFBJKAEMCPTTB-UHFFFAOYSA-N
XLogP1.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide
CID 20683999
2,5-dimethyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 110465502
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 130841000
3,5-dimethyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 58458875
3-chloro-6-(methylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 62172860
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 79046614
2,4-dimethyl-N-(1,3-thiazol-2-yl)benzamide
CID 953286
4-acetyl-3-ethyl-5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 47265101
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
5-bromo-2,3,4-trimethyl-N-(1,3-thiazol-2-yl)benzamide
CID 882261
1-dimethoxyphosphoryl-3-(1,3-thiazol-2-yl)urea
CID 4904044

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide (CID 110684009) is 5-methyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide is Cc1[nH]cnc1C(=O)Nc1nccs1.
What is the InChIKey of 5-methyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide?
The InChIKey is BRFBJKAEMCPTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-5-6(11-4-10-5)7(13)12-8-9-2-3-14-8/h2-4H,1H3,(H,10,11)(H,9,12,13).
What are the key properties of 5-methyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide?
5-methyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide has a molecular weight of 208.25 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 110684009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).