[2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone

C19H24ClN5OS — CID 53161120

IUPAC[2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2csc(N3CCN(c4cccc(Cl)c4)CC3)n2)CC1
InChIInChI=1S/C19H24ClN5OS/c1-22-5-7-24(8-6-22)18(26)17-14-27-19(21-17)25-11-9-23(10-12-25)16-4-2-3-15(20)13-16/h2-4,13-14H,5-12H2,1H3
InChIKeyFJWIPAQHVNBWAJ-UHFFFAOYSA-N
MW405.96 g/mol
LogP2.51
Rot. Bonds3

About [2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone

[2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 53161120) has the molecular formula C19H24ClN5OS and a molecular weight of 405.96 g/mol. Its IUPAC name is [2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID53161120
Molecular FormulaC19H24ClN5OS
Molecular Weight405.96 g/mol
Exact Mass405.14
IUPAC Name[2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2csc(N3CCN(c4cccc(Cl)c4)CC3)n2)CC1
InChIInChI=1S/C19H24ClN5OS/c1-22-5-7-24(8-6-22)18(26)17-14-27-19(21-17)25-11-9-23(10-12-25)16-4-2-3-15(20)13-16/h2-4,13-14H,5-12H2,1H3
InChIKeyFJWIPAQHVNBWAJ-UHFFFAOYSA-N
XLogP2.51
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.96
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 53161116
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 71840357
[4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63038242
[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
CID 118778045
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 53161135
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 71840355
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
CID 90509751
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 71840362
[4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone
CID 110854458
[4-(3-chlorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone
CID 16955185
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 53037588

Frequently Asked Questions

What is the IUPAC name of [2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 53161120) is [2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2csc(N3CCN(c4cccc(Cl)c4)CC3)n2)CC1.
What is the InChIKey of [2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is FJWIPAQHVNBWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5OS/c1-22-5-7-24(8-6-22)18(26)17-14-27-19(21-17)25-11-9-23(10-12-25)16-4-2-3-15(20)13-16/h2-4,13-14H,5-12H2,1H3.
What are the key properties of [2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
[2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 405.96 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 53161120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).