N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-pyrazol-1-ylacetamide

C16H15ClN4OS — CID 46479822

IUPACN-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-pyrazol-1-ylacetamide
SMILESCc1ccc(Cc2cnc(NC(=O)Cn3cccn3)s2)cc1Cl
InChIInChI=1S/C16H15ClN4OS/c1-11-3-4-12(8-14(11)17)7-13-9-18-16(23-13)20-15(22)10-21-6-2-5-19-21/h2-6,8-9H,7,10H2,1H3,(H,18,20,22)
InChIKeyNEBLBMJACKJQOF-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.53
Rot. Bonds5

About N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-pyrazol-1-ylacetamide

N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-pyrazol-1-ylacetamide (PubChem CID 46479822) has the molecular formula C16H15ClN4OS and a molecular weight of 346.84 g/mol. Its IUPAC name is N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-pyrazol-1-ylacetamide
PubChem CID46479822
Molecular FormulaC16H15ClN4OS
Molecular Weight346.84 g/mol
Exact Mass346.07
IUPAC NameN-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-pyrazol-1-ylacetamide
SMILESCc1ccc(Cc2cnc(NC(=O)Cn3cccn3)s2)cc1Cl
InChIInChI=1S/C16H15ClN4OS/c1-11-3-4-12(8-14(11)17)7-13-9-18-16(23-13)20-15(22)10-21-6-2-5-19-21/h2-6,8-9H,7,10H2,1H3,(H,18,20,22)
InChIKeyNEBLBMJACKJQOF-UHFFFAOYSA-N
XLogP3.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 18827810
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 6488306
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55823886
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 17034914
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 18827803
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46536689
4-amino-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide
CID 120587828
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 30685327
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119278182
3-acetamido-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46535806
2-[(5-benzyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 1187782
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 75869209

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-pyrazol-1-ylacetamide (CID 46479822) is N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-pyrazol-1-ylacetamide is Cc1ccc(Cc2cnc(NC(=O)Cn3cccn3)s2)cc1Cl.
What is the InChIKey of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-pyrazol-1-ylacetamide?
The InChIKey is NEBLBMJACKJQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4OS/c1-11-3-4-12(8-14(11)17)7-13-9-18-16(23-13)20-15(22)10-21-6-2-5-19-21/h2-6,8-9H,7,10H2,1H3,(H,18,20,22).
What are the key properties of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-pyrazol-1-ylacetamide?
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-pyrazol-1-ylacetamide has a molecular weight of 346.84 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 46479822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).