4-tert-butyl-2-cyclopropyl-1,3-thiazole-5-carbothioamide

C11H16N2S2 — CID 82438944

IUPAC4-tert-butyl-2-cyclopropyl-1,3-thiazole-5-carbothioamide
SMILESCC(C)(C)c1nc(C2CC2)sc1C(N)=S
InChIInChI=1S/C11H16N2S2/c1-11(2,3)8-7(9(12)14)15-10(13-8)6-4-5-6/h6H,4-5H2,1-3H3,(H2,12,14)
InChIKeyNWLCICIQLSYECA-UHFFFAOYSA-N
MW240.40 g/mol
LogP2.95
Rot. Bonds2

About 4-tert-butyl-2-cyclopropyl-1,3-thiazole-5-carbothioamide

4-tert-butyl-2-cyclopropyl-1,3-thiazole-5-carbothioamide (PubChem CID 82438944) has the molecular formula C11H16N2S2 and a molecular weight of 240.40 g/mol. Its IUPAC name is 4-tert-butyl-2-cyclopropyl-1,3-thiazole-5-carbothioamide.

Molecular Properties

Compound Name4-tert-butyl-2-cyclopropyl-1,3-thiazole-5-carbothioamide
PubChem CID82438944
Molecular FormulaC11H16N2S2
Molecular Weight240.40 g/mol
Exact Mass240.08
IUPAC Name4-tert-butyl-2-cyclopropyl-1,3-thiazole-5-carbothioamide
SMILESCC(C)(C)c1nc(C2CC2)sc1C(N)=S
InChIInChI=1S/C11H16N2S2/c1-11(2,3)8-7(9(12)14)15-10(13-8)6-4-5-6/h6H,4-5H2,1-3H3,(H2,12,14)
InChIKeyNWLCICIQLSYECA-UHFFFAOYSA-N
XLogP2.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid
CID 114359413
2-cyclohexyl-4-cyclopropyl-1,3-thiazole-5-carbothioamide
CID 82437042
2-cyclopropyl-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide
CID 82440824
4-tert-butyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbothioamide
CID 82438866
N-[(4-tert-butyl-2-cyclooctyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 114362515
1-[4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanone
CID 82439059
4-cyclopropyl-2-(dimethylamino)-1,3-thiazole-5-carbothioamide
CID 82437944
4-tert-butyl-2-(2,2-dimethylcyclopropyl)-1,3-thiazole-5-carboxylic acid
CID 107925329
2,4-dicyclopropyl-1,3-thiazole-5-carboximidamide
CID 82436892
2-(4-tert-butylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360204
2-(2-cyclohexyl-4-cyclopropyl-1,3-thiazol-5-yl)propan-2-amine
CID 82437050
N-[[4-tert-butyl-2-(oxolan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362536

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-cyclopropyl-1,3-thiazole-5-carbothioamide?
The IUPAC name of 4-tert-butyl-2-cyclopropyl-1,3-thiazole-5-carbothioamide (CID 82438944) is 4-tert-butyl-2-cyclopropyl-1,3-thiazole-5-carbothioamide.
What is the SMILES notation for 4-tert-butyl-2-cyclopropyl-1,3-thiazole-5-carbothioamide?
The canonical SMILES for 4-tert-butyl-2-cyclopropyl-1,3-thiazole-5-carbothioamide is CC(C)(C)c1nc(C2CC2)sc1C(N)=S.
What is the InChIKey of 4-tert-butyl-2-cyclopropyl-1,3-thiazole-5-carbothioamide?
The InChIKey is NWLCICIQLSYECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S2/c1-11(2,3)8-7(9(12)14)15-10(13-8)6-4-5-6/h6H,4-5H2,1-3H3,(H2,12,14).
What are the key properties of 4-tert-butyl-2-cyclopropyl-1,3-thiazole-5-carbothioamide?
4-tert-butyl-2-cyclopropyl-1,3-thiazole-5-carbothioamide has a molecular weight of 240.40 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-cyclopropyl-1,3-thiazole-5-carbothioamide is sourced from PubChem (CID 82438944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).