N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C17H15ClN4OS — CID 47061769

IUPACN-[2-(3-chlorophenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H15ClN4OS/c1-11-14(24-17(22-11)15-19-7-3-8-20-15)16(23)21-9-6-12-4-2-5-13(18)10-12/h2-5,7-8,10H,6,9H2,1H3,(H,21,23)
InChIKeyNDIMUOHUEVXILZ-UHFFFAOYSA-N
MW358.85 g/mol
LogP3.53
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 47061769) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID47061769
Molecular FormulaC17H15ClN4OS
Molecular Weight358.85 g/mol
Exact Mass358.07
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H15ClN4OS/c1-11-14(24-17(22-11)15-19-7-3-8-20-15)16(23)21-9-6-12-4-2-5-13(18)10-12/h2-5,7-8,10H,6,9H2,1H3,(H,21,23)
InChIKeyNDIMUOHUEVXILZ-UHFFFAOYSA-N
XLogP3.53
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 134048088
N-[(3-carbamoylphenyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55872207
N-(3-aminopropyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 119408938
N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55873365
N-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18279656
3-[2-(3-chlorophenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 53271007
N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443636
N-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30706606
4-amino-N-[2-(3-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61113254
4-ethyl-N-(2-pyridin-4-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59579983
N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 51088106
N-[2-(3-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39947640

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 47061769) is N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ncccn2)sc1C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is NDIMUOHUEVXILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS/c1-11-14(24-17(22-11)15-19-7-3-8-20-15)16(23)21-9-6-12-4-2-5-13(18)10-12/h2-5,7-8,10H,6,9H2,1H3,(H,21,23).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 358.85 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-[2-(3-chlorophenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47061769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).