2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-(furan-2-yl)-1-methylpyrazol-4-yl]acetamide

C15H16N4O2S — CID 136555320

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-(furan-2-yl)-1-methylpyrazol-4-yl]acetamide
SMILESCc1nc(CC(=O)Nc2cn(C)nc2-c2ccco2)c(C)s1
InChIInChI=1S/C15H16N4O2S/c1-9-11(16-10(2)22-9)7-14(20)17-12-8-19(3)18-15(12)13-5-4-6-21-13/h4-6,8H,7H2,1-3H3,(H,17,20)
InChIKeyDWWHCQXYTCJDNQ-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.93
Rot. Bonds4

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-(furan-2-yl)-1-methylpyrazol-4-yl]acetamide

2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-(furan-2-yl)-1-methylpyrazol-4-yl]acetamide (PubChem CID 136555320) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-(furan-2-yl)-1-methylpyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-(furan-2-yl)-1-methylpyrazol-4-yl]acetamide
PubChem CID136555320
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-(furan-2-yl)-1-methylpyrazol-4-yl]acetamide
SMILESCc1nc(CC(=O)Nc2cn(C)nc2-c2ccco2)c(C)s1
InChIInChI=1S/C15H16N4O2S/c1-9-11(16-10(2)22-9)7-14(20)17-12-8-19(3)18-15(12)13-5-4-6-21-13/h4-6,8H,7H2,1-3H3,(H,17,20)
InChIKeyDWWHCQXYTCJDNQ-UHFFFAOYSA-N
XLogP2.93
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-difluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062382
N-(3-fluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062384
2-(5-methylfuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 31974342
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 53568151
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 53618331
[2-(Furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56779224
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 56780984
N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 56781249
4-[3-(2-furyl)-1H-pyrazol-1-yl]-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 56904235
N-(2-methoxyethyl)-3-(5-methyl-2-furyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 70770209
N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 72140787
4-[3-(2-furyl)-1H-pyrazol-1-yl]-1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]piperidine-4-carboxylic acid
CID 56897994

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-(furan-2-yl)-1-methylpyrazol-4-yl]acetamide?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-(furan-2-yl)-1-methylpyrazol-4-yl]acetamide (CID 136555320) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-(furan-2-yl)-1-methylpyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-(furan-2-yl)-1-methylpyrazol-4-yl]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-(furan-2-yl)-1-methylpyrazol-4-yl]acetamide is Cc1nc(CC(=O)Nc2cn(C)nc2-c2ccco2)c(C)s1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-(furan-2-yl)-1-methylpyrazol-4-yl]acetamide?
The InChIKey is DWWHCQXYTCJDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-9-11(16-10(2)22-9)7-14(20)17-12-8-19(3)18-15(12)13-5-4-6-21-13/h4-6,8H,7H2,1-3H3,(H,17,20).
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-(furan-2-yl)-1-methylpyrazol-4-yl]acetamide?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-(furan-2-yl)-1-methylpyrazol-4-yl]acetamide has a molecular weight of 316.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-(furan-2-yl)-1-methylpyrazol-4-yl]acetamide is sourced from PubChem (CID 136555320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).