N-[3-(dimethylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide

C14H18N4OS — CID 110647739

IUPACN-[3-(dimethylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESCN(C)CCCNC(=O)c1csc(-c2ccccn2)n1
InChIInChI=1S/C14H18N4OS/c1-18(2)9-5-8-16-13(19)12-10-20-14(17-12)11-6-3-4-7-15-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,19)
InChIKeyKXZLZWNBQHTSLO-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.89
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide

N-[3-(dimethylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 110647739) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID110647739
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[3-(dimethylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESCN(C)CCCNC(=O)c1csc(-c2ccccn2)n1
InChIInChI=1S/C14H18N4OS/c1-18(2)9-5-8-16-13(19)12-10-20-14(17-12)11-6-3-4-7-15-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,19)
InChIKeyKXZLZWNBQHTSLO-UHFFFAOYSA-N
XLogP1.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647680
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48846789
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48846690
N-[2-(dimethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 53032327
N-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647283
N-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48845320
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 139948557
N-(4-ethylphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110649811
N-[2-(dimethylamino)ethyl]-N-methyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 46981951
N-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48846338
2-(1-aminoethyl)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 66374195
N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 122144115

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide (CID 110647739) is N-[3-(dimethylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide is CN(C)CCCNC(=O)c1csc(-c2ccccn2)n1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is KXZLZWNBQHTSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-18(2)9-5-8-16-13(19)12-10-20-14(17-12)11-6-3-4-7-15-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,19).
What are the key properties of N-[3-(dimethylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
N-[3-(dimethylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110647739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).