cyclopropyl-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone

C15H13N3OS2 — CID 2744261

IUPACcyclopropyl-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone
SMILESCc1nc(-c2cccs2)sc1-c1ccnn1C(=O)C1CC1
InChIInChI=1S/C15H13N3OS2/c1-9-13(21-14(17-9)12-3-2-8-20-12)11-6-7-16-18(11)15(19)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3
InChIKeyBAWIGCXWPJMBRV-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.09
Rot. Bonds3

About cyclopropyl-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone

cyclopropyl-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone (PubChem CID 2744261) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is cyclopropyl-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone
PubChem CID2744261
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC Namecyclopropyl-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone
SMILESCc1nc(-c2cccs2)sc1-c1ccnn1C(=O)C1CC1
InChIInChI=1S/C15H13N3OS2/c1-9-13(21-14(17-9)12-3-2-8-20-12)11-6-7-16-18(11)15(19)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3
InChIKeyBAWIGCXWPJMBRV-UHFFFAOYSA-N
XLogP4.09
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone?
The IUPAC name of cyclopropyl-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone (CID 2744261) is cyclopropyl-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone?
The canonical SMILES for cyclopropyl-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone is Cc1nc(-c2cccs2)sc1-c1ccnn1C(=O)C1CC1.
What is the InChIKey of cyclopropyl-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone?
The InChIKey is BAWIGCXWPJMBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c1-9-13(21-14(17-9)12-3-2-8-20-12)11-6-7-16-18(11)15(19)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3.
What are the key properties of cyclopropyl-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone?
cyclopropyl-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone has a molecular weight of 315.42 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone is sourced from PubChem (CID 2744261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).