N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide

C14H17N3OS — CID 110444853

IUPACN-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCC(C)c1csc(CCNC(=O)c2ccncc2)n1
InChIInChI=1S/C14H17N3OS/c1-10(2)12-9-19-13(17-12)5-8-16-14(18)11-3-6-15-7-4-11/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,16,18)
InChIKeyPPGJJNODODOURO-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.63
Rot. Bonds5

About N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide

N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 110444853) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID110444853
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCC(C)c1csc(CCNC(=O)c2ccncc2)n1
InChIInChI=1S/C14H17N3OS/c1-10(2)12-9-19-13(17-12)5-8-16-14(18)11-3-6-15-7-4-11/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,16,18)
InChIKeyPPGJJNODODOURO-UHFFFAOYSA-N
XLogP2.63
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110440220
3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110444040
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 122565410
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide
CID 110440180
2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 54773859
3-(dimethylamino)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110442482
3-chloro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 54773874
4-(hydroxymethyl)-5-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 77092555
3-acetamido-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 110439900
1-(3-chlorophenyl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110446875
(2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119874734
N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 110648392

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide (CID 110444853) is N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide is CC(C)c1csc(CCNC(=O)c2ccncc2)n1.
What is the InChIKey of N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is PPGJJNODODOURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10(2)12-9-19-13(17-12)5-8-16-14(18)11-3-6-15-7-4-11/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 110444853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).