N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

C14H15ClN2OS — CID 63048898

IUPACN-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)N(Cc1cccc(Cl)c1)C(=O)c1cscn1
InChIInChI=1S/C14H15ClN2OS/c1-10(2)17(14(18)13-8-19-9-16-13)7-11-4-3-5-12(15)6-11/h3-6,8-10H,7H2,1-2H3
InChIKeyRUNWJZQVDWAFKM-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.85
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 63048898) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID63048898
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC NameN-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)N(Cc1cccc(Cl)c1)C(=O)c1cscn1
InChIInChI=1S/C14H15ClN2OS/c1-10(2)17(14(18)13-8-19-9-16-13)7-11-4-3-5-12(15)6-11/h3-6,8-10H,7H2,1-2H3
InChIKeyRUNWJZQVDWAFKM-UHFFFAOYSA-N
XLogP3.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119723226
N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63049252
4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
CID 63308078
N-[(3-chlorophenyl)methyl]-4-methylsulfonyl-N-propan-2-ylbenzamide
CID 86927045
N-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide
CID 50971930
N-[(3-chlorophenyl)methyl]-N-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 36705049
2-amino-N-[(3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentanamide
CID 60945851
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
CID 65227482
3-amino-4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutanoic acid
CID 64896697
N-[(3-aminophenyl)methyl]-N-propan-2-ylthiadiazole-4-carboxamide
CID 65214123
N-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide
CID 103817103

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 63048898) is N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)N(Cc1cccc(Cl)c1)C(=O)c1cscn1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is RUNWJZQVDWAFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-10(2)17(14(18)13-8-19-9-16-13)7-11-4-3-5-12(15)6-11/h3-6,8-10H,7H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 294.81 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63048898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).