2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C12H16N4OS2 — CID 7715758

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1csc(SCC(=O)Nc2c(C)nn(C)c2C)n1
InChIInChI=1S/C12H16N4OS2/c1-7-5-18-12(13-7)19-6-10(17)14-11-8(2)15-16(4)9(11)3/h5H,6H2,1-4H3,(H,14,17)
InChIKeyFBAWAORHKNIESB-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.53
Rot. Bonds4

About 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 7715758) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID7715758
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1csc(SCC(=O)Nc2c(C)nn(C)c2C)n1
InChIInChI=1S/C12H16N4OS2/c1-7-5-18-12(13-7)19-6-10(17)14-11-8(2)15-16(4)9(11)3/h5H,6H2,1-4H3,(H,14,17)
InChIKeyFBAWAORHKNIESB-UHFFFAOYSA-N
XLogP2.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(3,5-Dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 45827587
N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-{methyl[1-(1,3-thiazol-2-yl)ethyl]amino}acetamide
CID 50962019
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 50973597
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 50974363
1-[3-(3,5-Dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51084055
2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 45804051
3,5-dimethyl-1-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 71938465
2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 72114659
1-(2-methoxyethyl)-3,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 86791426
N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 117080780
2,2-difluoro-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide
CID 74227314
2-(3,5-dimethylpyrazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 75375280

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 7715758) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1csc(SCC(=O)Nc2c(C)nn(C)c2C)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is FBAWAORHKNIESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c1-7-5-18-12(13-7)19-6-10(17)14-11-8(2)15-16(4)9(11)3/h5H,6H2,1-4H3,(H,14,17).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 296.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 7715758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).