4-(propanoylamino)-N-propyl-3-pyridin-2-yl-1,2-thiazole-5-carboxamide

C15H18N4O2S — CID 53141305

IUPAC4-(propanoylamino)-N-propyl-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
SMILESCCCNC(=O)c1snc(-c2ccccn2)c1NC(=O)CC
InChIInChI=1S/C15H18N4O2S/c1-3-8-17-15(21)14-13(18-11(20)4-2)12(19-22-14)10-7-5-6-9-16-10/h5-7,9H,3-4,8H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyNICNPTPXRNTAGC-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.69
Rot. Bonds6

About 4-(propanoylamino)-N-propyl-3-pyridin-2-yl-1,2-thiazole-5-carboxamide

4-(propanoylamino)-N-propyl-3-pyridin-2-yl-1,2-thiazole-5-carboxamide (PubChem CID 53141305) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-(propanoylamino)-N-propyl-3-pyridin-2-yl-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(propanoylamino)-N-propyl-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
PubChem CID53141305
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name4-(propanoylamino)-N-propyl-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
SMILESCCCNC(=O)c1snc(-c2ccccn2)c1NC(=O)CC
InChIInChI=1S/C15H18N4O2S/c1-3-8-17-15(21)14-13(18-11(20)4-2)12(19-22-14)10-7-5-6-9-16-10/h5-7,9H,3-4,8H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyNICNPTPXRNTAGC-UHFFFAOYSA-N
XLogP2.69
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(piperidine-1-carbonyl)-3-pyridin-2-yl-1,2-thiazol-4-yl]propanamide
CID 53141318
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 53141279
N-[(4-methoxyphenyl)methyl]-4-(2-methylpropanoylamino)-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 53141321
4-(cyclopropanecarbonylamino)-3-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide
CID 53141343
4-amino-N-[(2-fluorophenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 53141228
N-propanoyl-5-(propanoylamino)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
CID 5304260
4-amino-N-[(2,5-dimethoxyphenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 53141242
4-amino-3-(4-methoxyphenyl)-N-propyl-1,2-thiazole-5-carboxamide
CID 52906119
2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093458
3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-N-propylthiophene-2-carboxamide
CID 103509015
N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 57050532
N-propyl-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36805335

Frequently Asked Questions

What is the IUPAC name of 4-(propanoylamino)-N-propyl-3-pyridin-2-yl-1,2-thiazole-5-carboxamide?
The IUPAC name of 4-(propanoylamino)-N-propyl-3-pyridin-2-yl-1,2-thiazole-5-carboxamide (CID 53141305) is 4-(propanoylamino)-N-propyl-3-pyridin-2-yl-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 4-(propanoylamino)-N-propyl-3-pyridin-2-yl-1,2-thiazole-5-carboxamide?
The canonical SMILES for 4-(propanoylamino)-N-propyl-3-pyridin-2-yl-1,2-thiazole-5-carboxamide is CCCNC(=O)c1snc(-c2ccccn2)c1NC(=O)CC.
What is the InChIKey of 4-(propanoylamino)-N-propyl-3-pyridin-2-yl-1,2-thiazole-5-carboxamide?
The InChIKey is NICNPTPXRNTAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-3-8-17-15(21)14-13(18-11(20)4-2)12(19-22-14)10-7-5-6-9-16-10/h5-7,9H,3-4,8H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 4-(propanoylamino)-N-propyl-3-pyridin-2-yl-1,2-thiazole-5-carboxamide?
4-(propanoylamino)-N-propyl-3-pyridin-2-yl-1,2-thiazole-5-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propanoylamino)-N-propyl-3-pyridin-2-yl-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 53141305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).