2-acetamido-N-(1-cyclobutylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C13H15N5O2S — CID 165130067

IUPAC2-acetamido-N-(1-cyclobutylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)Nc2cnn(C3CCC3)c2)cs1
InChIInChI=1S/C13H15N5O2S/c1-8(19)15-13-17-11(7-21-13)12(20)16-9-5-14-18(6-9)10-3-2-4-10/h5-7,10H,2-4H2,1H3,(H,16,20)(H,15,17,19)
InChIKeyVYZGKNOCISBPMH-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.28
Rot. Bonds4

About 2-acetamido-N-(1-cyclobutylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

2-acetamido-N-(1-cyclobutylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 165130067) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-acetamido-N-(1-cyclobutylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(1-cyclobutylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID165130067
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name2-acetamido-N-(1-cyclobutylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)Nc2cnn(C3CCC3)c2)cs1
InChIInChI=1S/C13H15N5O2S/c1-8(19)15-13-17-11(7-21-13)12(20)16-9-5-14-18(6-9)10-3-2-4-10/h5-7,10H,2-4H2,1H3,(H,16,20)(H,15,17,19)
InChIKeyVYZGKNOCISBPMH-UHFFFAOYSA-N
XLogP2.28
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethylpyrazol-4-yl)-2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide
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2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
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N-[4-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
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N-[4-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 56802316
N-[4-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 56802339
N-[4-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 56802356
2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
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(2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
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2-(dimethylamino)-4-methyl-N-(1-propylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 75396489
N-(4-methyl-1,3-thiazol-2-yl)-3-(1H-pyrazol-1-yl)butanamide
CID 92707951
2-amino-N-methyl-N-[3-(1H-pyrazol-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 124209380
N-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(1-cyclobutylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-(1-cyclobutylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 165130067) is 2-acetamido-N-(1-cyclobutylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-(1-cyclobutylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-(1-cyclobutylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)Nc2cnn(C3CCC3)c2)cs1.
What is the InChIKey of 2-acetamido-N-(1-cyclobutylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is VYZGKNOCISBPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-8(19)15-13-17-11(7-21-13)12(20)16-9-5-14-18(6-9)10-3-2-4-10/h5-7,10H,2-4H2,1H3,(H,16,20)(H,15,17,19).
What are the key properties of 2-acetamido-N-(1-cyclobutylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
2-acetamido-N-(1-cyclobutylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(1-cyclobutylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165130067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).