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

C15H16N4OS — CID 110406262

IUPACN-(2-cyanopropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
SMILESCC(C)(C#N)NC(=O)CCc1csc(-c2ccncc2)n1
InChIInChI=1S/C15H16N4OS/c1-15(2,10-16)19-13(20)4-3-12-9-21-14(18-12)11-5-7-17-8-6-11/h5-9H,3-4H2,1-2H3,(H,19,20)
InChIKeyQPFODBQSBJUFQB-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.56
Rot. Bonds5

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

N-(2-cyanopropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110406262) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
PubChem CID110406262
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-(2-cyanopropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
SMILESCC(C)(C#N)NC(=O)CCc1csc(-c2ccncc2)n1
InChIInChI=1S/C15H16N4OS/c1-15(2,10-16)19-13(20)4-3-12-9-21-14(18-12)11-5-7-17-8-6-11/h5-9H,3-4H2,1-2H3,(H,19,20)
InChIKeyQPFODBQSBJUFQB-UHFFFAOYSA-N
XLogP2.56
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330032
N-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333523
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-(2-cyanopropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (CID 110406262) is N-(2-cyanopropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is CC(C)(C#N)NC(=O)CCc1csc(-c2ccncc2)n1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is QPFODBQSBJUFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-15(2,10-16)19-13(20)4-3-12-9-21-14(18-12)11-5-7-17-8-6-11/h5-9H,3-4H2,1-2H3,(H,19,20).
What are the key properties of N-(2-cyanopropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
N-(2-cyanopropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 300.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110406262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).