1-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-propan-2-ylthiourea

C11H19N3S2 — CID 11299876

IUPAC1-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-propan-2-ylthiourea
SMILESCc1nc(NC(=S)NC(C)C)sc1C(C)C
InChIInChI=1S/C11H19N3S2/c1-6(2)9-8(5)13-11(16-9)14-10(15)12-7(3)4/h6-7H,1-5H3,(H2,12,13,14,15)
InChIKeyGNEZSSHOGRANHI-UHFFFAOYSA-N
MW257.43 g/mol
LogP3.27
Rot. Bonds3

About 1-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-propan-2-ylthiourea

1-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-propan-2-ylthiourea (PubChem CID 11299876) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is 1-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-propan-2-ylthiourea
PubChem CID11299876
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC Name1-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-propan-2-ylthiourea
SMILESCc1nc(NC(=S)NC(C)C)sc1C(C)C
InChIInChI=1S/C11H19N3S2/c1-6(2)9-8(5)13-11(16-9)14-10(15)12-7(3)4/h6-7H,1-5H3,(H2,12,13,14,15)
InChIKeyGNEZSSHOGRANHI-UHFFFAOYSA-N
XLogP3.27
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-propan-2-ylthiourea
CID 3032476
1-propan-2-yl-3-[4-(propan-2-ylcarbamothioylamino)phenyl]thiourea
CID 163289921
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-propan-2-ylthiourea
CID 100775447
2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamothioylamino]-3-phenylpropanoic acid
CID 19704066
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylthiourea
CID 115588039
1-(5-methyl-3-pyridinyl)-3-propan-2-ylthiourea
CID 103739101
methyl 2-(acetylcarbamothioylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 17100024
2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 43470560
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 813223
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxypropanamide
CID 23879897
N-[[5-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]carbamothioyl]benzamide
CID 19088762
1-(4-methoxyphenyl)-3-propan-2-ylthiourea;sulfane
CID 159797828

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-propan-2-ylthiourea?
The IUPAC name of 1-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-propan-2-ylthiourea (CID 11299876) is 1-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-propan-2-ylthiourea.
What is the SMILES notation for 1-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-propan-2-ylthiourea?
The canonical SMILES for 1-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-propan-2-ylthiourea is Cc1nc(NC(=S)NC(C)C)sc1C(C)C.
What is the InChIKey of 1-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-propan-2-ylthiourea?
The InChIKey is GNEZSSHOGRANHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S2/c1-6(2)9-8(5)13-11(16-9)14-10(15)12-7(3)4/h6-7H,1-5H3,(H2,12,13,14,15).
What are the key properties of 1-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-propan-2-ylthiourea?
1-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-propan-2-ylthiourea has a molecular weight of 257.43 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-propan-2-ylthiourea is sourced from PubChem (CID 11299876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).