N-butan-2-yl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide

C15H19N3OS — CID 110406311

IUPACN-butan-2-yl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESCCC(C)NC(=O)CCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C15H19N3OS/c1-3-11(2)17-14(19)6-7-15-18-13(10-20-15)12-5-4-8-16-9-12/h4-5,8-11H,3,6-7H2,1-2H3,(H,17,19)
InChIKeyVCYDMSCRGZGIAD-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.05
Rot. Bonds6

About N-butan-2-yl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide

N-butan-2-yl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 110406311) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-butan-2-yl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
PubChem CID110406311
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-butan-2-yl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESCCC(C)NC(=O)CCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C15H19N3OS/c1-3-11(2)17-14(19)6-7-15-18-13(10-20-15)12-5-4-8-16-9-12/h4-5,8-11H,3,6-7H2,1-2H3,(H,17,19)
InChIKeyVCYDMSCRGZGIAD-UHFFFAOYSA-N
XLogP3.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid
CID 82116416
N-(2,6-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110649753
N-(2-methoxyethyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110647547
N-(3,5-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110408417
N-(3-acetamidophenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110650544
N-(3,4-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110649722
ethyl 4-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxylate
CID 110648887
2-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 82103016
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62543899
N-butyl-N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110649314
N-(pyridin-3-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110648283

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-butan-2-yl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (CID 110406311) is N-butan-2-yl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-butan-2-yl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is CCC(C)NC(=O)CCc1nc(-c2cccnc2)cs1.
What is the InChIKey of N-butan-2-yl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is VCYDMSCRGZGIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-11(2)17-14(19)6-7-15-18-13(10-20-15)12-5-4-8-16-9-12/h4-5,8-11H,3,6-7H2,1-2H3,(H,17,19).
What are the key properties of N-butan-2-yl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
N-butan-2-yl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 289.40 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110406311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).