4-ethyl-N-(2-pyridin-4-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C17H17N5OS — CID 59579983

IUPAC4-ethyl-N-(2-pyridin-4-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NCCc1ccncc1
InChIInChI=1S/C17H17N5OS/c1-2-13-14(24-17(22-13)15-19-7-3-8-20-15)16(23)21-11-6-12-4-9-18-10-5-12/h3-5,7-10H,2,6,11H2,1H3,(H,21,23)
InChIKeyOARXLHQSPPMTFN-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.53
Rot. Bonds6

About 4-ethyl-N-(2-pyridin-4-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

4-ethyl-N-(2-pyridin-4-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 59579983) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-ethyl-N-(2-pyridin-4-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-pyridin-4-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID59579983
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name4-ethyl-N-(2-pyridin-4-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NCCc1ccncc1
InChIInChI=1S/C17H17N5OS/c1-2-13-14(24-17(22-13)15-19-7-3-8-20-15)16(23)21-11-6-12-4-9-18-10-5-12/h3-5,7-10H,2,6,11H2,1H3,(H,21,23)
InChIKeyOARXLHQSPPMTFN-UHFFFAOYSA-N
XLogP2.53
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(diethylamino)-3-oxopropyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59580049
4-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59580001
4-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154567007
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154570205
4-ethyl-N-[2-(4-methyltriazol-1-yl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154818152
4-ethyl-2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 155970335
4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154570009
1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one
CID 170389034
4-ethyl-2-pyrimidin-2-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
CID 154821426
4-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154570195
N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 47061769
N-[2-(4-chlorophenyl)-4-methylpentyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59579978

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-pyridin-4-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(2-pyridin-4-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 59579983) is 4-ethyl-N-(2-pyridin-4-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-pyridin-4-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-pyridin-4-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CCc1nc(-c2ncccn2)sc1C(=O)NCCc1ccncc1.
What is the InChIKey of 4-ethyl-N-(2-pyridin-4-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is OARXLHQSPPMTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-2-13-14(24-17(22-13)15-19-7-3-8-20-15)16(23)21-11-6-12-4-9-18-10-5-12/h3-5,7-10H,2,6,11H2,1H3,(H,21,23).
What are the key properties of 4-ethyl-N-(2-pyridin-4-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
4-ethyl-N-(2-pyridin-4-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-pyridin-4-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59579983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).