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

C19H21ClN4OS — CID 46536689

IUPACN-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ccc(Cc2cnc(NC(=O)Cc3c(C)nn(C)c3C)s2)cc1Cl
InChIInChI=1S/C19H21ClN4OS/c1-11-5-6-14(8-17(11)20)7-15-10-21-19(26-15)22-18(25)9-16-12(2)23-24(4)13(16)3/h5-6,8,10H,7,9H2,1-4H3,(H,21,22,25)
InChIKeyDVUXNBLMNNQCBG-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.23
Rot. Bonds5

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

N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 46536689) has the molecular formula C19H21ClN4OS and a molecular weight of 388.92 g/mol. Its IUPAC name is N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID46536689
Molecular FormulaC19H21ClN4OS
Molecular Weight388.92 g/mol
Exact Mass388.11
IUPAC NameN-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ccc(Cc2cnc(NC(=O)Cc3c(C)nn(C)c3C)s2)cc1Cl
InChIInChI=1S/C19H21ClN4OS/c1-11-5-6-14(8-17(11)20)7-15-10-21-19(26-15)22-18(25)9-16-12(2)23-24(4)13(16)3/h5-6,8,10H,7,9H2,1-4H3,(H,21,22,25)
InChIKeyDVUXNBLMNNQCBG-UHFFFAOYSA-N
XLogP4.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.23
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]-2-methylpropanamide
CID 6488306
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]-3-phenylpropanamide
CID 18827810
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-pyrazol-1-ylacetamide
CID 46479822
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 18827803
4-amino-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide
CID 120587828
2-(2,6-dichlorophenyl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 7535969
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
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55537497
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide
CID 126800396
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]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55823886

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 46536689) is N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1ccc(Cc2cnc(NC(=O)Cc3c(C)nn(C)c3C)s2)cc1Cl.
What is the InChIKey of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is DVUXNBLMNNQCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4OS/c1-11-5-6-14(8-17(11)20)7-15-10-21-19(26-15)22-18(25)9-16-12(2)23-24(4)13(16)3/h5-6,8,10H,7,9H2,1-4H3,(H,21,22,25).
What are the key properties of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 388.92 g/mol, XLogP of 4.23, 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-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 46536689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).