(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

C16H20N6OS — CID 120879462

IUPAC(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCc1nn(C)c2sc(C(=O)N3CCNCC3c3nccn3C)cc12
InChIInChI=1S/C16H20N6OS/c1-10-11-8-13(24-16(11)21(3)19-10)15(23)22-7-4-17-9-12(22)14-18-5-6-20(14)2/h5-6,8,12,17H,4,7,9H2,1-3H3
InChIKeyFHTDIGBUUHVANR-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.46
Rot. Bonds2

About (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 120879462) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
PubChem CID120879462
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCc1nn(C)c2sc(C(=O)N3CCNCC3c3nccn3C)cc12
InChIInChI=1S/C16H20N6OS/c1-10-11-8-13(24-16(11)21(3)19-10)15(23)22-7-4-17-9-12(22)14-18-5-6-20(14)2/h5-6,8,12,17H,4,7,9H2,1-3H3
InChIKeyFHTDIGBUUHVANR-UHFFFAOYSA-N
XLogP1.46
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone
CID 119471958
[2-(3-chlorophenyl)piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
CID 120803531
1-[5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophen-2-yl]ethanone;hydrochloride
CID 120880591
[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877230
1-benzothiophen-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878121
(2,4-difluoro-5-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877772
[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880626
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
CID 120878160
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880625
(2,5-dichlorothiophen-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878803
(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880230

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (CID 120879462) is (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is Cc1nn(C)c2sc(C(=O)N3CCNCC3c3nccn3C)cc12.
What is the InChIKey of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is FHTDIGBUUHVANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-10-11-8-13(24-16(11)21(3)19-10)15(23)22-7-4-17-9-12(22)14-18-5-6-20(14)2/h5-6,8,12,17H,4,7,9H2,1-3H3.
What are the key properties of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 344.44 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 120879462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).