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

C16H18Cl2N4OS — CID 120902799

IUPAC1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
SMILESNc1ncc(CN2CCCCC2C(=O)Nc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C16H18Cl2N4OS/c17-10-4-5-13(12(18)7-10)21-15(23)14-3-1-2-6-22(14)9-11-8-20-16(19)24-11/h4-5,7-8,14H,1-3,6,9H2,(H2,19,20)(H,21,23)
InChIKeyFNAJAPACKWASOH-UHFFFAOYSA-N
MW385.32 g/mol
LogP4.03
Rot. Bonds4

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

1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,4-dichlorophenyl)piperidine-2-carboxamide (PubChem CID 120902799) has the molecular formula C16H18Cl2N4OS and a molecular weight of 385.32 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,4-dichlorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
PubChem CID120902799
Molecular FormulaC16H18Cl2N4OS
Molecular Weight385.32 g/mol
Exact Mass384.06
IUPAC Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
SMILESNc1ncc(CN2CCCCC2C(=O)Nc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C16H18Cl2N4OS/c17-10-4-5-13(12(18)7-10)21-15(23)14-3-1-2-6-22(14)9-11-8-20-16(19)24-11/h4-5,7-8,14H,1-3,6,9H2,(H2,19,20)(H,21,23)
InChIKeyFNAJAPACKWASOH-UHFFFAOYSA-N
XLogP4.03
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293641
(2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
CID 99607470
N-(2,4-dichlorophenyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide
CID 42957890
(2S)-N-(2,4-dichlorophenyl)-1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 124738392
N-(2,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 42957909
N-(2,4-dichlorophenyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 47027351
1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293651
1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 71649579
methyl 1-[2-[2-[(2,4-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 47027344
N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide
CID 126792477
1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea
CID 120902751
N-(2,4-dichlorophenyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 47045151

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,4-dichlorophenyl)piperidine-2-carboxamide?
The IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,4-dichlorophenyl)piperidine-2-carboxamide (CID 120902799) is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,4-dichlorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,4-dichlorophenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,4-dichlorophenyl)piperidine-2-carboxamide is Nc1ncc(CN2CCCCC2C(=O)Nc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,4-dichlorophenyl)piperidine-2-carboxamide?
The InChIKey is FNAJAPACKWASOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4OS/c17-10-4-5-13(12(18)7-10)21-15(23)14-3-1-2-6-22(14)9-11-8-20-16(19)24-11/h4-5,7-8,14H,1-3,6,9H2,(H2,19,20)(H,21,23).
What are the key properties of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,4-dichlorophenyl)piperidine-2-carboxamide?
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,4-dichlorophenyl)piperidine-2-carboxamide has a molecular weight of 385.32 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,4-dichlorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 120902799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).