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

C11H19NS2 — CID 82434602

IUPAC[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
SMILESCC(C)Cc1nc(C(C)C)c(CS)s1
InChIInChI=1S/C11H19NS2/c1-7(2)5-10-12-11(8(3)4)9(6-13)14-10/h7-8,13H,5-6H2,1-4H3
InChIKeyMYQSFRLQBAZWCK-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.89
Rot. Bonds4

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

[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol (PubChem CID 82434602) has the molecular formula C11H19NS2 and a molecular weight of 229.41 g/mol. Its IUPAC name is [2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol.

Molecular Properties

Compound Name[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
PubChem CID82434602
Molecular FormulaC11H19NS2
Molecular Weight229.41 g/mol
Exact Mass229.10
IUPAC Name[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
SMILESCC(C)Cc1nc(C(C)C)c(CS)s1
InChIInChI=1S/C11H19NS2/c1-7(2)5-10-12-11(8(3)4)9(6-13)14-10/h7-8,13H,5-6H2,1-4H3
InChIKeyMYQSFRLQBAZWCK-UHFFFAOYSA-N
XLogP3.89
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol
CID 82426539
N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82434587
[4-cyclopropyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol
CID 82436940
N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82434590
[2-(morpholin-4-ylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82435326
[2-(cyclohexylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82434438
[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82433931
[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82435579
N-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114369727
1-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82429503
N-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114369718
[2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82435654

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol?
The IUPAC name of [2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol (CID 82434602) is [2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol.
What is the SMILES notation for [2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol?
The canonical SMILES for [2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol is CC(C)Cc1nc(C(C)C)c(CS)s1.
What is the InChIKey of [2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol?
The InChIKey is MYQSFRLQBAZWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS2/c1-7(2)5-10-12-11(8(3)4)9(6-13)14-10/h7-8,13H,5-6H2,1-4H3.
What are the key properties of [2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol?
[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol has a molecular weight of 229.41 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol is sourced from PubChem (CID 82434602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).