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

C15H19N3O2S — CID 110626848

IUPACN-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
SMILESCC(C)(O)CNC(=O)CCc1csc(-c2cccnc2)n1
InChIInChI=1S/C15H19N3O2S/c1-15(2,20)10-17-13(19)6-5-12-9-21-14(18-12)11-4-3-7-16-8-11/h3-4,7-9,20H,5-6,10H2,1-2H3,(H,17,19)
InChIKeyFIEDUJFKSQXQRV-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.02
Rot. Bonds6

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

N-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110626848) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
PubChem CID110626848
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
SMILESCC(C)(O)CNC(=O)CCc1csc(-c2cccnc2)n1
InChIInChI=1S/C15H19N3O2S/c1-15(2,20)10-17-13(19)6-5-12-9-21-14(18-12)11-4-3-7-16-8-11/h3-4,7-9,20H,5-6,10H2,1-2H3,(H,17,19)
InChIKeyFIEDUJFKSQXQRV-UHFFFAOYSA-N
XLogP2.02
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329883
3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624792
N-[2-(2-methoxyphenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329884
N-(4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329943
N-[2-(cyclohexen-1-yl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329851
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110408611
methyl 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanoylamino]benzoate
CID 110424060
3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500659
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 108810268
N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110413894
N-(2-phenoxyethoxy)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110632997
4-(4-methoxyphenyl)-4-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110624951

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide (CID 110626848) is N-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide is CC(C)(O)CNC(=O)CCc1csc(-c2cccnc2)n1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is FIEDUJFKSQXQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-15(2,20)10-17-13(19)6-5-12-9-21-14(18-12)11-4-3-7-16-8-11/h3-4,7-9,20H,5-6,10H2,1-2H3,(H,17,19).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide?
N-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 305.40 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110626848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).