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

C21H21ClN4O2S — CID 1447638

IUPACN-(2-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
SMILESCOc1cccc(-c2csc(N3CCN(C(=O)Nc4ccccc4Cl)CC3)n2)c1
InChIInChI=1S/C21H21ClN4O2S/c1-28-16-6-4-5-15(13-16)19-14-29-21(24-19)26-11-9-25(10-12-26)20(27)23-18-8-3-2-7-17(18)22/h2-8,13-14H,9-12H2,1H3,(H,23,27)
InChIKeyXLISJJKHAGBTQD-UHFFFAOYSA-N
MW428.95 g/mol
LogP4.83
Rot. Bonds4

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

N-(2-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (PubChem CID 1447638) has the molecular formula C21H21ClN4O2S and a molecular weight of 428.95 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
PubChem CID1447638
Molecular FormulaC21H21ClN4O2S
Molecular Weight428.95 g/mol
Exact Mass428.11
IUPAC NameN-(2-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
SMILESCOc1cccc(-c2csc(N3CCN(C(=O)Nc4ccccc4Cl)CC3)n2)c1
InChIInChI=1S/C21H21ClN4O2S/c1-28-16-6-4-5-15(13-16)19-14-29-21(24-19)26-11-9-25(10-12-26)20(27)23-18-8-3-2-7-17(18)22/h2-8,13-14H,9-12H2,1H3,(H,23,27)
InChIKeyXLISJJKHAGBTQD-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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Related Compounds

4-(4-chlorophenyl)-N-(4-methoxyphenyl)thiazol-2-amine
CID 768022
1-(4-(3-Methoxyphenyl)thiazol-2-yl)-3-phenylurea
CID 929876
4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-piperazine-1-carboxylic acid (2-methoxy-phenyl)-amide
CID 651034
1-Benzyl-4-[4-(3-methoxy-phenyl)-thiazol-2-yl]-piperazine
CID 653037
N-(4-Methoxy-phenyl)-2-{4-[4-(3-methoxy-phenyl)-thiazol-2-yl]-piperazin-1-yl}-acetamide
CID 1447546
4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-piperazine-1-carboxylic acid (3-methoxy-phenyl)-amide
CID 1447625
N-(4-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 1447635
4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-piperazine-1-carbothioic acid isobutyl-amide
CID 1447661
4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)piperazine-1-carbothioamide
CID 1447686
4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-piperazine-1-carbothioic acid (3-methoxy-propyl)-amide
CID 3223658
4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-piperazine-1-carbothioic acid (4-chloro-phenyl)-amide
CID 3223662
N-(2-ethoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
CID 3223666

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (CID 1447638) is N-(2-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is COc1cccc(-c2csc(N3CCN(C(=O)Nc4ccccc4Cl)CC3)n2)c1.
What is the InChIKey of N-(2-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The InChIKey is XLISJJKHAGBTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2S/c1-28-16-6-4-5-15(13-16)19-14-29-21(24-19)26-11-9-25(10-12-26)20(27)23-18-8-3-2-7-17(18)22/h2-8,13-14H,9-12H2,1H3,(H,23,27).
What are the key properties of N-(2-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
N-(2-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-(2-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 1447638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).