N-(1-chloro-2-methylbutan-2-yl)-4-ethyl-1,3-thiazol-2-amine

C10H17ClN2S — CID 65028401

IUPACN-(1-chloro-2-methylbutan-2-yl)-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NC(C)(CC)CCl)n1
InChIInChI=1S/C10H17ClN2S/c1-4-8-6-14-9(12-8)13-10(3,5-2)7-11/h6H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyXRKUHACAFALRKM-UHFFFAOYSA-N
MW232.78 g/mol
LogP3.52
Rot. Bonds5

About N-(1-chloro-2-methylbutan-2-yl)-4-ethyl-1,3-thiazol-2-amine

N-(1-chloro-2-methylbutan-2-yl)-4-ethyl-1,3-thiazol-2-amine (PubChem CID 65028401) has the molecular formula C10H17ClN2S and a molecular weight of 232.78 g/mol. Its IUPAC name is N-(1-chloro-2-methylbutan-2-yl)-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-chloro-2-methylbutan-2-yl)-4-ethyl-1,3-thiazol-2-amine
PubChem CID65028401
Molecular FormulaC10H17ClN2S
Molecular Weight232.78 g/mol
Exact Mass232.08
IUPAC NameN-(1-chloro-2-methylbutan-2-yl)-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NC(C)(CC)CCl)n1
InChIInChI=1S/C10H17ClN2S/c1-4-8-6-14-9(12-8)13-10(3,5-2)7-11/h6H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyXRKUHACAFALRKM-UHFFFAOYSA-N
XLogP3.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.78
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-4-ethyl-1,3-thiazol-2-amine (CID 65028401) is N-(1-chloro-2-methylbutan-2-yl)-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-chloro-2-methylbutan-2-yl)-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-chloro-2-methylbutan-2-yl)-4-ethyl-1,3-thiazol-2-amine is CCc1csc(NC(C)(CC)CCl)n1.
What is the InChIKey of N-(1-chloro-2-methylbutan-2-yl)-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is XRKUHACAFALRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2S/c1-4-8-6-14-9(12-8)13-10(3,5-2)7-11/h6H,4-5,7H2,1-3H3,(H,12,13).
What are the key properties of N-(1-chloro-2-methylbutan-2-yl)-4-ethyl-1,3-thiazol-2-amine?
N-(1-chloro-2-methylbutan-2-yl)-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 232.78 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylbutan-2-yl)-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 65028401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).