1-[3-methyl-5-(2-pyridin-3-ylethylamino)-1,2-thiazol-4-yl]ethanone

C13H15N3OS — CID 79364082

IUPAC1-[3-methyl-5-(2-pyridin-3-ylethylamino)-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCCc1cccnc1
InChIInChI=1S/C13H15N3OS/c1-9-12(10(2)17)13(18-16-9)15-7-5-11-4-3-6-14-8-11/h3-4,6,8,15H,5,7H2,1-2H3
InChIKeyJZRPRRBKNRVWKF-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.70
Rot. Bonds5

About 1-[3-methyl-5-(2-pyridin-3-ylethylamino)-1,2-thiazol-4-yl]ethanone

1-[3-methyl-5-(2-pyridin-3-ylethylamino)-1,2-thiazol-4-yl]ethanone (PubChem CID 79364082) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-[3-methyl-5-(2-pyridin-3-ylethylamino)-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-5-(2-pyridin-3-ylethylamino)-1,2-thiazol-4-yl]ethanone
PubChem CID79364082
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name1-[3-methyl-5-(2-pyridin-3-ylethylamino)-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCCc1cccnc1
InChIInChI=1S/C13H15N3OS/c1-9-12(10(2)17)13(18-16-9)15-7-5-11-4-3-6-14-8-11/h3-4,6,8,15H,5,7H2,1-2H3
InChIKeyJZRPRRBKNRVWKF-UHFFFAOYSA-N
XLogP2.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone
CID 113222580
1-[5-[(3-methoxyphenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363807
1-[5-[(3-fluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79376448
1-[5-[(2-bromophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363518
4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729005
5,6-dimethyl-N-(2-pyridin-3-ylethyl)-1,2,4-triazin-3-amine
CID 114448192
2-amino-6-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 60895526
3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid
CID 55107885
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248
1-[5-(4-ethylanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375648
2-ethyl-N-(2-pyridin-3-ylethyl)aniline
CID 55169393

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-(2-pyridin-3-ylethylamino)-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[3-methyl-5-(2-pyridin-3-ylethylamino)-1,2-thiazol-4-yl]ethanone (CID 79364082) is 1-[3-methyl-5-(2-pyridin-3-ylethylamino)-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-5-(2-pyridin-3-ylethylamino)-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[3-methyl-5-(2-pyridin-3-ylethylamino)-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1NCCc1cccnc1.
What is the InChIKey of 1-[3-methyl-5-(2-pyridin-3-ylethylamino)-1,2-thiazol-4-yl]ethanone?
The InChIKey is JZRPRRBKNRVWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-12(10(2)17)13(18-16-9)15-7-5-11-4-3-6-14-8-11/h3-4,6,8,15H,5,7H2,1-2H3.
What are the key properties of 1-[3-methyl-5-(2-pyridin-3-ylethylamino)-1,2-thiazol-4-yl]ethanone?
1-[3-methyl-5-(2-pyridin-3-ylethylamino)-1,2-thiazol-4-yl]ethanone has a molecular weight of 261.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-(2-pyridin-3-ylethylamino)-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79364082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).