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

C21H21ClN4O2S — CID 1447635

IUPACN-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
SMILESCOc1cccc(-c2csc(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)n2)c1
InChIInChI=1S/C21H21ClN4O2S/c1-28-18-4-2-3-15(13-18)19-14-29-21(24-19)26-11-9-25(10-12-26)20(27)23-17-7-5-16(22)6-8-17/h2-8,13-14H,9-12H2,1H3,(H,23,27)
InChIKeyXILHDQPIUMONQG-UHFFFAOYSA-N
MW428.95 g/mol
LogP4.83
Rot. Bonds4

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

N-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (PubChem CID 1447635) has the molecular formula C21H21ClN4O2S and a molecular weight of 428.95 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
PubChem CID1447635
Molecular FormulaC21H21ClN4O2S
Molecular Weight428.95 g/mol
Exact Mass428.11
IUPAC NameN-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
SMILESCOc1cccc(-c2csc(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)n2)c1
InChIInChI=1S/C21H21ClN4O2S/c1-28-18-4-2-3-15(13-18)19-14-29-21(24-19)26-11-9-25(10-12-26)20(27)23-17-7-5-16(22)6-8-17/h2-8,13-14H,9-12H2,1H3,(H,23,27)
InChIKeyXILHDQPIUMONQG-UHFFFAOYSA-N
XLogP4.83
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.95
LogP ≤ 54.83
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-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (CID 1447635) is N-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is COc1cccc(-c2csc(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)n2)c1.
What is the InChIKey of N-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The InChIKey is XILHDQPIUMONQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2S/c1-28-18-4-2-3-15(13-18)19-14-29-21(24-19)26-11-9-25(10-12-26)20(27)23-17-7-5-16(22)6-8-17/h2-8,13-14H,9-12H2,1H3,(H,23,27).
What are the key properties of N-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide has a molecular weight of 428.95 g/mol, XLogP of 4.83, 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-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 1447635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).