N-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide

C16H21N3OS — CID 39080817

IUPACN-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCCCCN(CC)C(=O)c1sc(-c2ccncc2)nc1C
InChIInChI=1S/C16H21N3OS/c1-4-6-11-19(5-2)16(20)14-12(3)18-15(21-14)13-7-9-17-10-8-13/h7-10H,4-6,11H2,1-3H3
InChIKeyQKVYFKJNYKPWBD-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.78
Rot. Bonds6

About N-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide

N-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 39080817) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID39080817
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCCCCN(CC)C(=O)c1sc(-c2ccncc2)nc1C
InChIInChI=1S/C16H21N3OS/c1-4-6-11-19(5-2)16(20)14-12(3)18-15(21-14)13-7-9-17-10-8-13/h7-10H,4-6,11H2,1-3H3
InChIKeyQKVYFKJNYKPWBD-UHFFFAOYSA-N
XLogP3.78
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(3-chlorophenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 134015239
N-[3-(diethylamino)propyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084301
N-[4-(diethylamino)butyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084315
N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-[4-(4-ethylphenyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 70831549
2-(4-butylphenyl)-N,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide
CID 143281454
N-ethyl-4-methyl-N-(2-phenylethyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 55587242
N,N-diethyl-2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetamide
CID 110329205
N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080833
N-butyl-4-ethyl-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 77097813
2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 55115723
2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 82032622
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78855413

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (CID 39080817) is N-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is CCCCN(CC)C(=O)c1sc(-c2ccncc2)nc1C.
What is the InChIKey of N-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is QKVYFKJNYKPWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-6-11-19(5-2)16(20)14-12(3)18-15(21-14)13-7-9-17-10-8-13/h7-10H,4-6,11H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
N-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39080817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).