N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride

C17H16ClN3OS — CID 3040028

IUPACN,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCN(C)C(=O)c1sc(-c2cccnc2)nc1-c1ccccc1.Cl
InChIInChI=1S/C17H15N3OS.ClH/c1-20(2)17(21)15-14(12-7-4-3-5-8-12)19-16(22-15)13-9-6-10-18-11-13;/h3-11H,1-2H3;1H
InChIKeyQWCCLQJNBIBUNU-UHFFFAOYSA-N
MW345.86 g/mol
LogP4.00
Rot. Bonds3

About N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride

N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 3040028) has the molecular formula C17H16ClN3OS and a molecular weight of 345.86 g/mol. Its IUPAC name is N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID3040028
Molecular FormulaC17H16ClN3OS
Molecular Weight345.86 g/mol
Exact Mass345.07
IUPAC NameN,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCN(C)C(=O)c1sc(-c2cccnc2)nc1-c1ccccc1.Cl
InChIInChI=1S/C17H15N3OS.ClH/c1-20(2)17(21)15-14(12-7-4-3-5-8-12)19-16(22-15)13-9-6-10-18-11-13;/h3-11H,1-2H3;1H
InChIKeyQWCCLQJNBIBUNU-UHFFFAOYSA-N
XLogP4.00
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 73012806
4-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 94970742
N-ethyl-N-methyl-4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 126635045
N,4-dimethyl-2-pyridin-3-yl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
CID 90125514
4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide
CID 89394604
N-ethyl-2,2,2-trifluoro-N-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 59580833
2-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 94970678
2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82069424
4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
CID 86713748
2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 17409593
2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 47120010
N-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-phenylacetamide
CID 110329097

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride (CID 3040028) is N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride is CN(C)C(=O)c1sc(-c2cccnc2)nc1-c1ccccc1.Cl.
What is the InChIKey of N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is QWCCLQJNBIBUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS.ClH/c1-20(2)17(21)15-14(12-7-4-3-5-8-12)19-16(22-15)13-9-6-10-18-11-13;/h3-11H,1-2H3;1H.
What are the key properties of N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride?
N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 345.86 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 3040028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).