N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide

C17H14Cl2N4OS — CID 38904720

IUPACN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ncccc1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C17H14Cl2N4OS/c1-23(2)15-12(4-3-7-20-15)16(24)22-17-21-14(9-25-17)11-6-5-10(18)8-13(11)19/h3-9H,1-2H3,(H,21,22,24)
InChIKeyMRGROYLFBCMBFD-UHFFFAOYSA-N
MW393.30 g/mol
LogP4.83
Rot. Bonds4

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

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide (PubChem CID 38904720) has the molecular formula C17H14Cl2N4OS and a molecular weight of 393.30 g/mol. Its IUPAC name is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide
PubChem CID38904720
Molecular FormulaC17H14Cl2N4OS
Molecular Weight393.30 g/mol
Exact Mass392.03
IUPAC NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ncccc1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C17H14Cl2N4OS/c1-23(2)15-12(4-3-7-20-15)16(24)22-17-21-14(9-25-17)11-6-5-10(18)8-13(11)19/h3-9H,1-2H3,(H,21,22,24)
InChIKeyMRGROYLFBCMBFD-UHFFFAOYSA-N
XLogP4.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 38905414
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 30289420
2-(dimethylamino)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 55686455
2,5-dichloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5003941
4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4844502
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 4135604
2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 903690
N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 17404608
2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4674763
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3517701
methyl 2-[4-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]carbamoyl]-1,3-oxazol-5-yl]benzoate
CID 176589725
N-(3,5-dichlorophenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38887368

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide (CID 38904720) is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide is CN(C)c1ncccc1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide?
The InChIKey is MRGROYLFBCMBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4OS/c1-23(2)15-12(4-3-7-20-15)16(24)22-17-21-14(9-25-17)11-6-5-10(18)8-13(11)19/h3-9H,1-2H3,(H,21,22,24).
What are the key properties of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide?
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide has a molecular weight of 393.30 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 38904720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).