5-(bromomethyl)-4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazole

C11H16BrNS2 — CID 82436791

IUPAC5-(bromomethyl)-4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazole
SMILESCCCSCc1nc(C2CC2)c(CBr)s1
InChIInChI=1S/C11H16BrNS2/c1-2-5-14-7-10-13-11(8-3-4-8)9(6-12)15-10/h8H,2-7H2,1H3
InChIKeyRAYSPLLKBCXRTD-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.56
Rot. Bonds6

About 5-(bromomethyl)-4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazole

5-(bromomethyl)-4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazole (PubChem CID 82436791) has the molecular formula C11H16BrNS2 and a molecular weight of 306.29 g/mol. Its IUPAC name is 5-(bromomethyl)-4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazole
PubChem CID82436791
Molecular FormulaC11H16BrNS2
Molecular Weight306.29 g/mol
Exact Mass304.99
IUPAC Name5-(bromomethyl)-4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazole
SMILESCCCSCc1nc(C2CC2)c(CBr)s1
InChIInChI=1S/C11H16BrNS2/c1-2-5-14-7-10-13-11(8-3-4-8)9(6-12)15-10/h8H,2-7H2,1H3
InChIKeyRAYSPLLKBCXRTD-UHFFFAOYSA-N
XLogP4.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazole
CID 82436694
N-[[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114367975
1-[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 82436801
1-[5-(bromomethyl)-4-cyclopropyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine
CID 82437535
2-[5-(bromomethyl)-4-cyclopropyl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 82437750
5-(bromomethyl)-4-cyclopropyl-2-pentan-3-yl-1,3-thiazole
CID 82437074
2-(propylsulfanylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 65128825
N-[[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82436687
[2-(butan-2-ylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
CID 114361967
(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine
CID 82435899
[4-(2-methylpropyl)-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114362112
1-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 82436151

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazole?
The IUPAC name of 5-(bromomethyl)-4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazole (CID 82436791) is 5-(bromomethyl)-4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-(bromomethyl)-4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazole?
The canonical SMILES for 5-(bromomethyl)-4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazole is CCCSCc1nc(C2CC2)c(CBr)s1.
What is the InChIKey of 5-(bromomethyl)-4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazole?
The InChIKey is RAYSPLLKBCXRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS2/c1-2-5-14-7-10-13-11(8-3-4-8)9(6-12)15-10/h8H,2-7H2,1H3.
What are the key properties of 5-(bromomethyl)-4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazole?
5-(bromomethyl)-4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazole has a molecular weight of 306.29 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazole is sourced from PubChem (CID 82436791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).