[4-cyclopropyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol

C11H17NS2 — CID 82436940

IUPAC[4-cyclopropyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol
SMILESCC(C)Cc1nc(C2CC2)c(CS)s1
InChIInChI=1S/C11H17NS2/c1-7(2)5-10-12-11(8-3-4-8)9(6-13)14-10/h7-8,13H,3-6H2,1-2H3
InChIKeyVDQHYPKQBAYYOO-UHFFFAOYSA-N
MW227.40 g/mol
LogP3.65
Rot. Bonds4

About [4-cyclopropyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol

[4-cyclopropyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol (PubChem CID 82436940) has the molecular formula C11H17NS2 and a molecular weight of 227.40 g/mol. Its IUPAC name is [4-cyclopropyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol.

Molecular Properties

Compound Name[4-cyclopropyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol
PubChem CID82436940
Molecular FormulaC11H17NS2
Molecular Weight227.40 g/mol
Exact Mass227.08
IUPAC Name[4-cyclopropyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol
SMILESCC(C)Cc1nc(C2CC2)c(CS)s1
InChIInChI=1S/C11H17NS2/c1-7(2)5-10-12-11(8-3-4-8)9(6-13)14-10/h7-8,13H,3-6H2,1-2H3
InChIKeyVDQHYPKQBAYYOO-UHFFFAOYSA-N
XLogP3.65
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [4-cyclopropyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-cyclopropyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanethiol
CID 82436819
[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol
CID 82426539
[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82434602
N-[[4-cyclopropyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367731
5-[4-cyclopropyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82436944
N-[(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436157
(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine
CID 82435899
N-[[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82436752
[4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methanethiol
CID 82437168
[2-(butan-2-ylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
CID 114361967
N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82434590
N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 116885305

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol?
The IUPAC name of [4-cyclopropyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol (CID 82436940) is [4-cyclopropyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol.
What is the SMILES notation for [4-cyclopropyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol?
The canonical SMILES for [4-cyclopropyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol is CC(C)Cc1nc(C2CC2)c(CS)s1.
What is the InChIKey of [4-cyclopropyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol?
The InChIKey is VDQHYPKQBAYYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS2/c1-7(2)5-10-12-11(8-3-4-8)9(6-13)14-10/h7-8,13H,3-6H2,1-2H3.
What are the key properties of [4-cyclopropyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol?
[4-cyclopropyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol has a molecular weight of 227.40 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol is sourced from PubChem (CID 82436940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).