4-(5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole

C12H14ClN3S2 — CID 2456635

IUPAC4-(5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCN1CCN(c2nc(-c3ccc(Cl)s3)cs2)CC1
InChIInChI=1S/C12H14ClN3S2/c1-15-4-6-16(7-5-15)12-14-9(8-17-12)10-2-3-11(13)18-10/h2-3,8H,4-7H2,1H3
InChIKeyCVAHNUYIYPSUSQ-UHFFFAOYSA-N
MW299.85 g/mol
LogP3.28
Rot. Bonds2

About 4-(5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole

4-(5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole (PubChem CID 2456635) has the molecular formula C12H14ClN3S2 and a molecular weight of 299.85 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
PubChem CID2456635
Molecular FormulaC12H14ClN3S2
Molecular Weight299.85 g/mol
Exact Mass299.03
IUPAC Name4-(5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCN1CCN(c2nc(-c3ccc(Cl)s3)cs2)CC1
InChIInChI=1S/C12H14ClN3S2/c1-15-4-6-16(7-5-15)12-14-9(8-17-12)10-2-3-11(13)18-10/h2-3,8H,4-7H2,1H3
InChIKeyCVAHNUYIYPSUSQ-UHFFFAOYSA-N
XLogP3.28
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole (CID 2456635) is 4-(5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole is CN1CCN(c2nc(-c3ccc(Cl)s3)cs2)CC1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is CVAHNUYIYPSUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S2/c1-15-4-6-16(7-5-15)12-14-9(8-17-12)10-2-3-11(13)18-10/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-(5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
4-(5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 299.85 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 2456635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).