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

C15H19N3OS — CID 110330032

IUPACN-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
SMILESCC(C)(C)NC(=O)CCc1csc(-c2ccncc2)n1
InChIInChI=1S/C15H19N3OS/c1-15(2,3)18-13(19)5-4-12-10-20-14(17-12)11-6-8-16-9-7-11/h6-10H,4-5H2,1-3H3,(H,18,19)
InChIKeyMUBCESSBVIKPAU-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.05
Rot. Bonds4

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

N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110330032) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
PubChem CID110330032
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
SMILESCC(C)(C)NC(=O)CCc1csc(-c2ccncc2)n1
InChIInChI=1S/C15H19N3OS/c1-15(2,3)18-13(19)5-4-12-10-20-14(17-12)11-6-8-16-9-7-11/h6-10H,4-5H2,1-3H3,(H,18,19)
InChIKeyMUBCESSBVIKPAU-UHFFFAOYSA-N
XLogP3.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

N-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333523
N-(2-cyanopropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110406262
N-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333309
N-(1-hydroxypropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110428238
N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329967
N-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110675542
N-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330056
3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110675529
N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330030
3-methyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110305211
2,2-dimethyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108749201

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (CID 110330032) is N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is CC(C)(C)NC(=O)CCc1csc(-c2ccncc2)n1.
What is the InChIKey of N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is MUBCESSBVIKPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-15(2,3)18-13(19)5-4-12-10-20-14(17-12)11-6-8-16-9-7-11/h6-10H,4-5H2,1-3H3,(H,18,19).
What are the key properties of N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 289.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110330032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).