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

C14H17N3OS — CID 110647210

IUPACN-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
SMILESCCCNC(=O)CCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C14H17N3OS/c1-2-7-16-13(18)3-4-14-17-12(10-19-14)11-5-8-15-9-6-11/h5-6,8-10H,2-4,7H2,1H3,(H,16,18)
InChIKeyQQUOWHABGNXGIP-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.66
Rot. Bonds6

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

N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 110647210) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
PubChem CID110647210
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
SMILESCCCNC(=O)CCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C14H17N3OS/c1-2-7-16-13(18)3-4-14-17-12(10-19-14)11-5-8-15-9-6-11/h5-6,8-10H,2-4,7H2,1H3,(H,16,18)
InChIKeyQQUOWHABGNXGIP-UHFFFAOYSA-N
XLogP2.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 110317749
N-[2-(2-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110648445
4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119875531
N-(pyridin-3-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110648283
2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride
CID 120704270
N-(2,6-dimethylphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110649754
N-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110650248
N-(2-methoxyethyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110647547
3-(2-aminophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 120612941
3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide
CID 110318189
3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide
CID 110415644
N-(4-acetamidobutyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 110609845

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide (CID 110647210) is N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide is CCCNC(=O)CCc1nc(-c2ccncc2)cs1.
What is the InChIKey of N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is QQUOWHABGNXGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-7-16-13(18)3-4-14-17-12(10-19-14)11-5-8-15-9-6-11/h5-6,8-10H,2-4,7H2,1H3,(H,16,18).
What are the key properties of N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 275.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110647210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).