2-(3-methylthiophen-2-yl)-4-piperazin-1-yl-1,3-thiazole

C12H15N3S2 — CID 116889895

IUPAC2-(3-methylthiophen-2-yl)-4-piperazin-1-yl-1,3-thiazole
SMILESCc1ccsc1-c1nc(N2CCNCC2)cs1
InChIInChI=1S/C12H15N3S2/c1-9-2-7-16-11(9)12-14-10(8-17-12)15-5-3-13-4-6-15/h2,7-8,13H,3-6H2,1H3
InChIKeyCDORLCYUKVTJLD-UHFFFAOYSA-N
MW265.41 g/mol
LogP2.59
Rot. Bonds2

About 2-(3-methylthiophen-2-yl)-4-piperazin-1-yl-1,3-thiazole

2-(3-methylthiophen-2-yl)-4-piperazin-1-yl-1,3-thiazole (PubChem CID 116889895) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-4-piperazin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-4-piperazin-1-yl-1,3-thiazole
PubChem CID116889895
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC Name2-(3-methylthiophen-2-yl)-4-piperazin-1-yl-1,3-thiazole
SMILESCc1ccsc1-c1nc(N2CCNCC2)cs1
InChIInChI=1S/C12H15N3S2/c1-9-2-7-16-11(9)12-14-10(8-17-12)15-5-3-13-4-6-15/h2,7-8,13H,3-6H2,1H3
InChIKeyCDORLCYUKVTJLD-UHFFFAOYSA-N
XLogP2.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)-4-piperazin-1-yl-1,3-thiazole
CID 116889870
[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine
CID 61282401
3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485281
3-methyl-5-(6-piperazin-1-ylpyridazin-3-yl)-1,2,4-thiadiazole
CID 19608320
3-methyl-3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]butan-1-amine
CID 116888474
ethane;4-methyl-2-piperazin-1-yl-1,3-thiazole
CID 143994298
2-(3-methylthiophen-2-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 35618551
1-[4-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
CID 35618395
ethane;2-methyl-4-piperazin-1-ylpyrimidine
CID 144746590
4-piperazin-1-yl-2-thiophen-2-ylpyrimidine
CID 82295356
1-[5-(1,1-difluoroethyl)-6-methyl-2-pyridinyl]piperazine
CID 162549104
4-methyl-2-piperazin-1-ylquinoline
CID 598754

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-4-piperazin-1-yl-1,3-thiazole?
The IUPAC name of 2-(3-methylthiophen-2-yl)-4-piperazin-1-yl-1,3-thiazole (CID 116889895) is 2-(3-methylthiophen-2-yl)-4-piperazin-1-yl-1,3-thiazole.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-4-piperazin-1-yl-1,3-thiazole?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-4-piperazin-1-yl-1,3-thiazole is Cc1ccsc1-c1nc(N2CCNCC2)cs1.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-4-piperazin-1-yl-1,3-thiazole?
The InChIKey is CDORLCYUKVTJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2/c1-9-2-7-16-11(9)12-14-10(8-17-12)15-5-3-13-4-6-15/h2,7-8,13H,3-6H2,1H3.
What are the key properties of 2-(3-methylthiophen-2-yl)-4-piperazin-1-yl-1,3-thiazole?
2-(3-methylthiophen-2-yl)-4-piperazin-1-yl-1,3-thiazole has a molecular weight of 265.41 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-4-piperazin-1-yl-1,3-thiazole is sourced from PubChem (CID 116889895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).