N-(2-chloroethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine

C9H15ClN2S — CID 63392701

IUPACN-(2-chloroethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(CCCl)c1nc(C)cs1
InChIInChI=1S/C9H15ClN2S/c1-3-5-12(6-4-10)9-11-8(2)7-13-9/h7H,3-6H2,1-2H3
InChIKeyKKFPQVKJOKZRTN-UHFFFAOYSA-N
MW218.75 g/mol
LogP2.91
Rot. Bonds5

About N-(2-chloroethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine

N-(2-chloroethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine (PubChem CID 63392701) has the molecular formula C9H15ClN2S and a molecular weight of 218.75 g/mol. Its IUPAC name is N-(2-chloroethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine
PubChem CID63392701
Molecular FormulaC9H15ClN2S
Molecular Weight218.75 g/mol
Exact Mass218.06
IUPAC NameN-(2-chloroethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(CCCl)c1nc(C)cs1
InChIInChI=1S/C9H15ClN2S/c1-3-5-12(6-4-10)9-11-8(2)7-13-9/h7H,3-6H2,1-2H3
InChIKeyKKFPQVKJOKZRTN-UHFFFAOYSA-N
XLogP2.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.75
LogP ≤ 52.91
H-Bond Donors ≤ 50
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-(2-chloroethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloroethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine (CID 63392701) is N-(2-chloroethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloroethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine is CCCN(CCCl)c1nc(C)cs1.
What is the InChIKey of N-(2-chloroethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine?
The InChIKey is KKFPQVKJOKZRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2S/c1-3-5-12(6-4-10)9-11-8(2)7-13-9/h7H,3-6H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine?
N-(2-chloroethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine has a molecular weight of 218.75 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63392701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).