[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone

C16H14ClN3OS2 — CID 5310198

IUPAC[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C16H14ClN3OS2/c17-14-6-5-13(22-14)15(21)19-7-9-20(10-8-19)16-18-11-3-1-2-4-12(11)23-16/h1-6H,7-10H2
InChIKeyKWSWBTQEYVUUNE-UHFFFAOYSA-N
MW363.90 g/mol
LogP3.97
Rot. Bonds2

About [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone

[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone (PubChem CID 5310198) has the molecular formula C16H14ClN3OS2 and a molecular weight of 363.90 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
PubChem CID5310198
Molecular FormulaC16H14ClN3OS2
Molecular Weight363.90 g/mol
Exact Mass363.03
IUPAC Name[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C16H14ClN3OS2/c17-14-6-5-13(22-14)15(21)19-7-9-20(10-8-19)16-18-11-3-1-2-4-12(11)23-16/h1-6H,7-10H2
InChIKeyKWSWBTQEYVUUNE-UHFFFAOYSA-N
XLogP3.97
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.90
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone?
The IUPAC name of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone (CID 5310198) is [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone?
The canonical SMILES for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone is O=C(c1ccc(Cl)s1)N1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone?
The InChIKey is KWSWBTQEYVUUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS2/c17-14-6-5-13(22-14)15(21)19-7-9-20(10-8-19)16-18-11-3-1-2-4-12(11)23-16/h1-6H,7-10H2.
What are the key properties of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone?
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone has a molecular weight of 363.90 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 5310198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).