[1-[[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol

C13H15NOS2 — CID 116969360

IUPAC[1-[[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol
SMILESCc1ccsc1-c1csc(CC2(CO)CC2)n1
InChIInChI=1S/C13H15NOS2/c1-9-2-5-16-12(9)10-7-17-11(14-10)6-13(8-15)3-4-13/h2,5,7,15H,3-4,6,8H2,1H3
InChIKeyDAMCWTVVOWCUSN-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.50
Rot. Bonds4

About [1-[[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol

[1-[[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol (PubChem CID 116969360) has the molecular formula C13H15NOS2 and a molecular weight of 265.40 g/mol. Its IUPAC name is [1-[[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol
PubChem CID116969360
Molecular FormulaC13H15NOS2
Molecular Weight265.40 g/mol
Exact Mass265.06
IUPAC Name[1-[[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol
SMILESCc1ccsc1-c1csc(CC2(CO)CC2)n1
InChIInChI=1S/C13H15NOS2/c1-9-2-5-16-12(9)10-7-17-11(14-10)6-13(8-15)3-4-13/h2,5,7,15H,3-4,6,8H2,1H3
InChIKeyDAMCWTVVOWCUSN-UHFFFAOYSA-N
XLogP3.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanol
CID 116969329
1-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 63993604
[1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol
CID 116969358
[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanone
CID 63993298
ethyl 4-(3-methylthiophen-2-yl)-1,3-thiazole-2-carboxylate
CID 63992032
[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]hydrazine
CID 63991302
[1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclobutyl]methanol
CID 116969491
N-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 63992614
1-[4-(3-methylthiophen-2-yl)pyrimidin-2-yl]cyclopropane-1-carbonitrile
CID 116902422
[1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanamine
CID 116969377
4-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]aniline
CID 63993468
[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine
CID 61282401

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol (CID 116969360) is [1-[[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol is Cc1ccsc1-c1csc(CC2(CO)CC2)n1.
What is the InChIKey of [1-[[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol?
The InChIKey is DAMCWTVVOWCUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS2/c1-9-2-5-16-12(9)10-7-17-11(14-10)6-13(8-15)3-4-13/h2,5,7,15H,3-4,6,8H2,1H3.
What are the key properties of [1-[[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol?
[1-[[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol has a molecular weight of 265.40 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol is sourced from PubChem (CID 116969360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).