N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

C16H11Cl2N3OS — CID 23792381

IUPACN-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)c1ccncc1
InChIInChI=1S/C16H11Cl2N3OS/c17-13-2-1-10(8-14(13)18)7-12-9-20-16(23-12)21-15(22)11-3-5-19-6-4-11/h1-6,8-9H,7H2,(H,20,21,22)
InChIKeyYHMPGOJEDGYNJW-UHFFFAOYSA-N
MW364.26 g/mol
LogP4.69
Rot. Bonds4

About N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 23792381) has the molecular formula C16H11Cl2N3OS and a molecular weight of 364.26 g/mol. Its IUPAC name is N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID23792381
Molecular FormulaC16H11Cl2N3OS
Molecular Weight364.26 g/mol
Exact Mass363.00
IUPAC NameN-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)c1ccncc1
InChIInChI=1S/C16H11Cl2N3OS/c17-13-2-1-10(8-14(13)18)7-12-9-20-16(23-12)21-15(22)11-3-5-19-6-4-11/h1-6,8-9H,7H2,(H,20,21,22)
InChIKeyYHMPGOJEDGYNJW-UHFFFAOYSA-N
XLogP4.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide
CID 5025499
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 18827701
3-acetamido-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46535806
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 25494557
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 3497765
4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18876296
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-oxoisochromene-3-carboxamide
CID 4904458
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 30685113
N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 17440607
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 18827803
2-phosphanyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 90448889
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
CID 124938588

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 23792381) is N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is O=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)c1ccncc1.
What is the InChIKey of N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is YHMPGOJEDGYNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3OS/c17-13-2-1-10(8-14(13)18)7-12-9-20-16(23-12)21-15(22)11-3-5-19-6-4-11/h1-6,8-9H,7H2,(H,20,21,22).
What are the key properties of N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 364.26 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 23792381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).