N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-imidazol-1-ylacetamide

C14H16N6OS — CID 46969511

IUPACN-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-imidazol-1-ylacetamide
SMILESCCn1ncc(-c2csc(NC(=O)Cn3ccnc3)n2)c1C
InChIInChI=1S/C14H16N6OS/c1-3-20-10(2)11(6-16-20)12-8-22-14(17-12)18-13(21)7-19-5-4-15-9-19/h4-6,8-9H,3,7H2,1-2H3,(H,17,18,21)
InChIKeyVRTODECJEHQCEF-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.17
Rot. Bonds5

About N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-imidazol-1-ylacetamide

N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-imidazol-1-ylacetamide (PubChem CID 46969511) has the molecular formula C14H16N6OS and a molecular weight of 316.39 g/mol. Its IUPAC name is N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-imidazol-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-imidazol-1-ylacetamide
PubChem CID46969511
Molecular FormulaC14H16N6OS
Molecular Weight316.39 g/mol
Exact Mass316.11
IUPAC NameN-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-imidazol-1-ylacetamide
SMILESCCn1ncc(-c2csc(NC(=O)Cn3ccnc3)n2)c1C
InChIInChI=1S/C14H16N6OS/c1-3-20-10(2)11(6-16-20)12-8-22-14(17-12)18-13(21)7-19-5-4-15-9-19/h4-6,8-9H,3,7H2,1-2H3,(H,17,18,21)
InChIKeyVRTODECJEHQCEF-UHFFFAOYSA-N
XLogP2.17
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485698
N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 46971588
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pentanamide
CID 51593987
N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29092784
4-[(3,5-dimethylphenoxy)methyl]-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 19505564
N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19589846
2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482663
N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19469862
2-imidazol-1-yl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17410061
1-[2-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502325
3-(3-bromophenyl)-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495749
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 55811361

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-imidazol-1-ylacetamide?
The IUPAC name of N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-imidazol-1-ylacetamide (CID 46969511) is N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-imidazol-1-ylacetamide.
What is the SMILES notation for N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-imidazol-1-ylacetamide?
The canonical SMILES for N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-imidazol-1-ylacetamide is CCn1ncc(-c2csc(NC(=O)Cn3ccnc3)n2)c1C.
What is the InChIKey of N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-imidazol-1-ylacetamide?
The InChIKey is VRTODECJEHQCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS/c1-3-20-10(2)11(6-16-20)12-8-22-14(17-12)18-13(21)7-19-5-4-15-9-19/h4-6,8-9H,3,7H2,1-2H3,(H,17,18,21).
What are the key properties of N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-imidazol-1-ylacetamide?
N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-imidazol-1-ylacetamide has a molecular weight of 316.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-imidazol-1-ylacetamide is sourced from PubChem (CID 46969511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).