N-(4-chlorophenyl)-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide

C19H19ClN4O2S — CID 30464278

IUPACN-(4-chlorophenyl)-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1
InChIInChI=1S/C19H19ClN4O2S/c20-14-3-5-15(6-4-14)21-19(25)24-9-7-23(8-10-24)12-18-22-16(13-27-18)17-2-1-11-26-17/h1-6,11,13H,7-10,12H2,(H,21,25)
InChIKeyODZYWRRFAZNHPT-UHFFFAOYSA-N
MW402.91 g/mol
LogP4.41
Rot. Bonds4

About N-(4-chlorophenyl)-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide

N-(4-chlorophenyl)-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide (PubChem CID 30464278) has the molecular formula C19H19ClN4O2S and a molecular weight of 402.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
PubChem CID30464278
Molecular FormulaC19H19ClN4O2S
Molecular Weight402.91 g/mol
Exact Mass402.09
IUPAC NameN-(4-chlorophenyl)-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1
InChIInChI=1S/C19H19ClN4O2S/c20-14-3-5-15(6-4-14)21-19(25)24-9-7-23(8-10-24)12-18-22-16(13-27-18)17-2-1-11-26-17/h1-6,11,13H,7-10,12H2,(H,21,25)
InChIKeyODZYWRRFAZNHPT-UHFFFAOYSA-N
XLogP4.41
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide (CID 30464278) is N-(4-chlorophenyl)-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide?
The InChIKey is ODZYWRRFAZNHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2S/c20-14-3-5-15(6-4-14)21-19(25)24-9-7-23(8-10-24)12-18-22-16(13-27-18)17-2-1-11-26-17/h1-6,11,13H,7-10,12H2,(H,21,25).
What are the key properties of N-(4-chlorophenyl)-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide has a molecular weight of 402.91 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 30464278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).