2,5-dimethyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C9H9N3OS2 — CID 110465502

IUPAC2,5-dimethyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2nccs2)c(C)s1
InChIInChI=1S/C9H9N3OS2/c1-5-7(11-6(2)15-5)8(13)12-9-10-3-4-14-9/h3-4H,1-2H3,(H,10,12,13)
InChIKeyNPBBSHIRINWQJY-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.47
Rot. Bonds2

About 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

2,5-dimethyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 110465502) has the molecular formula C9H9N3OS2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID110465502
Molecular FormulaC9H9N3OS2
Molecular Weight239.32 g/mol
Exact Mass239.02
IUPAC Name2,5-dimethyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2nccs2)c(C)s1
InChIInChI=1S/C9H9N3OS2/c1-5-7(11-6(2)15-5)8(13)12-9-10-3-4-14-9/h3-4H,1-2H3,(H,10,12,13)
InChIKeyNPBBSHIRINWQJY-UHFFFAOYSA-N
XLogP2.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide
CID 20683999
5-methyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide
CID 110684009
2,5-dimethyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 124611260
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
4-(dimethylsulfamoyl)-5-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 6502656
2,5-dimethyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 110465519
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
3-amino-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 61090146
N-(2,6-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465586
1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea
CID 2401380
2,4-dimethyl-N-(1,3-thiazol-2-yl)benzamide
CID 953286

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 110465502) is 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2nccs2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is NPBBSHIRINWQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS2/c1-5-7(11-6(2)15-5)8(13)12-9-10-3-4-14-9/h3-4H,1-2H3,(H,10,12,13).
What are the key properties of 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
2,5-dimethyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110465502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).