(3R)-1-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]-N-propylpiperidine-3-carboxamide

C19H23ClN4O2S — CID 93305434

IUPAC(3R)-1-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@@H]1CCCN(C(=O)c2csc(Nc3ccccc3Cl)n2)C1
InChIInChI=1S/C19H23ClN4O2S/c1-2-9-21-17(25)13-6-5-10-24(11-13)18(26)16-12-27-19(23-16)22-15-8-4-3-7-14(15)20/h3-4,7-8,12-13H,2,5-6,9-11H2,1H3,(H,21,25)(H,22,23)/t13-/m1/s1
InChIKeySEWOQUOGAJOKAK-CYBMUJFWSA-N
MW406.94 g/mol
LogP3.92
Rot. Bonds6

About (3R)-1-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]-N-propylpiperidine-3-carboxamide

(3R)-1-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]-N-propylpiperidine-3-carboxamide (PubChem CID 93305434) has the molecular formula C19H23ClN4O2S and a molecular weight of 406.94 g/mol. Its IUPAC name is (3R)-1-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]-N-propylpiperidine-3-carboxamide
PubChem CID93305434
Molecular FormulaC19H23ClN4O2S
Molecular Weight406.94 g/mol
Exact Mass406.12
IUPAC Name(3R)-1-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@@H]1CCCN(C(=O)c2csc(Nc3ccccc3Cl)n2)C1
InChIInChI=1S/C19H23ClN4O2S/c1-2-9-21-17(25)13-6-5-10-24(11-13)18(26)16-12-27-19(23-16)22-15-8-4-3-7-14(15)20/h3-4,7-8,12-13H,2,5-6,9-11H2,1H3,(H,21,25)(H,22,23)/t13-/m1/s1
InChIKeySEWOQUOGAJOKAK-CYBMUJFWSA-N
XLogP3.92
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 93306855
N-(2-aminoethyl)-1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 119480398
(3R)-1-[2-(2-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 93306736
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 42813146
N-(2-aminoethyl)-1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 119481732
N-(2-aminoethyl)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119479884
(3S)-1-[2-(3-methylanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 93305267
ethyl (3R)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylate
CID 41201409
2-[4-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 46169370
1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 42813188
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide
CID 83279349

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]-N-propylpiperidine-3-carboxamide (CID 93305434) is (3R)-1-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]-N-propylpiperidine-3-carboxamide is CCCNC(=O)[C@@H]1CCCN(C(=O)c2csc(Nc3ccccc3Cl)n2)C1.
What is the InChIKey of (3R)-1-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]-N-propylpiperidine-3-carboxamide?
The InChIKey is SEWOQUOGAJOKAK-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23ClN4O2S/c1-2-9-21-17(25)13-6-5-10-24(11-13)18(26)16-12-27-19(23-16)22-15-8-4-3-7-14(15)20/h3-4,7-8,12-13H,2,5-6,9-11H2,1H3,(H,21,25)(H,22,23)/t13-/m1/s1.
What are the key properties of (3R)-1-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]-N-propylpiperidine-3-carboxamide?
(3R)-1-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]-N-propylpiperidine-3-carboxamide has a molecular weight of 406.94 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 93305434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).