2-(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)propan-2-ol

C13H15NOS2 — CID 82437424

IUPAC2-(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)propan-2-ol
SMILESCC(C)(O)c1sc(-c2cccs2)nc1C1CC1
InChIInChI=1S/C13H15NOS2/c1-13(2,15)11-10(8-5-6-8)14-12(17-11)9-4-3-7-16-9/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyCBUXTQYJZFJWLY-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.98
Rot. Bonds3

About 2-(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)propan-2-ol

2-(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)propan-2-ol (PubChem CID 82437424) has the molecular formula C13H15NOS2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)propan-2-ol
PubChem CID82437424
Molecular FormulaC13H15NOS2
Molecular Weight265.40 g/mol
Exact Mass265.06
IUPAC Name2-(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)propan-2-ol
SMILESCC(C)(O)c1sc(-c2cccs2)nc1C1CC1
InChIInChI=1S/C13H15NOS2/c1-13(2,15)11-10(8-5-6-8)14-12(17-11)9-4-3-7-16-9/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyCBUXTQYJZFJWLY-UHFFFAOYSA-N
XLogP3.98
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)propan-2-amine
CID 82437425
2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82437265
N-[(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82437415
N-methyl-2-thiophen-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62079681
N-cyclopropyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27537384
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 41075355
2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)propan-2-amine
CID 82436095
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 103895328
2-cyclopropyl-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 111977204
1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol
CID 111113942
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanecarboxamide
CID 90546633
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 9193152

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)propan-2-ol?
The IUPAC name of 2-(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)propan-2-ol (CID 82437424) is 2-(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 2-(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)propan-2-ol is CC(C)(O)c1sc(-c2cccs2)nc1C1CC1.
What is the InChIKey of 2-(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)propan-2-ol?
The InChIKey is CBUXTQYJZFJWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS2/c1-13(2,15)11-10(8-5-6-8)14-12(17-11)9-4-3-7-16-9/h3-4,7-8,15H,5-6H2,1-2H3.
What are the key properties of 2-(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)propan-2-ol?
2-(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 82437424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).