N-(4-chlorophenyl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide

C15H19ClN4O2S — CID 110812149

IUPACN-(4-chlorophenyl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(C(=O)C2CSCN2)CC1
InChIInChI=1S/C15H19ClN4O2S/c16-11-1-3-12(4-2-11)18-15(22)20-7-5-19(6-8-20)14(21)13-9-23-10-17-13/h1-4,13,17H,5-10H2,(H,18,22)
InChIKeyMBYULWMAJSTMGA-UHFFFAOYSA-N
MW354.86 g/mol
LogP1.68
Rot. Bonds2

About N-(4-chlorophenyl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide

N-(4-chlorophenyl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide (PubChem CID 110812149) has the molecular formula C15H19ClN4O2S and a molecular weight of 354.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide
PubChem CID110812149
Molecular FormulaC15H19ClN4O2S
Molecular Weight354.86 g/mol
Exact Mass354.09
IUPAC NameN-(4-chlorophenyl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(C(=O)C2CSCN2)CC1
InChIInChI=1S/C15H19ClN4O2S/c16-11-1-3-12(4-2-11)18-15(22)20-7-5-19(6-8-20)14(21)13-9-23-10-17-13/h1-4,13,17H,5-10H2,(H,18,22)
InChIKeyMBYULWMAJSTMGA-UHFFFAOYSA-N
XLogP1.68
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-[1-(1,3-thiazolidine-4-carbonyl)piperidin-4-yl]methanone
CID 119289949
N-phenyl-2-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]acetamide
CID 110741454
N-cyclopentyl-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide
CID 110812155
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119287852
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 60936897
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 60937367
N-[4-(4-chloroanilino)-4-oxobutyl]-1,3-thiazolidine-4-carboxamide
CID 119297727
(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79411419
2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
CID 110802605
[4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110802108
1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one
CID 110799962
N-(4-chlorophenyl)-4-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 165430478

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide (CID 110812149) is N-(4-chlorophenyl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCN(C(=O)C2CSCN2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide?
The InChIKey is MBYULWMAJSTMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2S/c16-11-1-3-12(4-2-11)18-15(22)20-7-5-19(6-8-20)14(21)13-9-23-10-17-13/h1-4,13,17H,5-10H2,(H,18,22).
What are the key properties of N-(4-chlorophenyl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide has a molecular weight of 354.86 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 110812149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).