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

C8H13ClN2S — CID 63392656

IUPACN-(2-chloroethyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(CCCl)c1nccs1
InChIInChI=1S/C8H13ClN2S/c1-2-5-11(6-3-9)8-10-4-7-12-8/h4,7H,2-3,5-6H2,1H3
InChIKeyKAPVNUYUFBOXES-UHFFFAOYSA-N
MW204.73 g/mol
LogP2.60
Rot. Bonds5

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

N-(2-chloroethyl)-N-propyl-1,3-thiazol-2-amine (PubChem CID 63392656) has the molecular formula C8H13ClN2S and a molecular weight of 204.73 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-propyl-1,3-thiazol-2-amine
PubChem CID63392656
Molecular FormulaC8H13ClN2S
Molecular Weight204.73 g/mol
Exact Mass204.05
IUPAC NameN-(2-chloroethyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(CCCl)c1nccs1
InChIInChI=1S/C8H13ClN2S/c1-2-5-11(6-3-9)8-10-4-7-12-8/h4,7H,2-3,5-6H2,1H3
InChIKeyKAPVNUYUFBOXES-UHFFFAOYSA-N
XLogP2.60
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.73
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-(2-chloroethyl)-1,3-thiazol-2-amine
CID 63388732
2-[propyl(1,3-thiazol-2-yl)amino]ethanol
CID 61425727
N-(2-chloroethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine
CID 63392701
N-(2-chloroethyl)-N-propylpyrimidin-4-amine
CID 63392396
N-(2-chloroethyl)-2-methyl-N-propylpyrimidin-4-amine
CID 63392200
5-bromo-N-(2-chloroethyl)-N-propylpyrimidin-2-amine
CID 63873651
4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine
CID 43532078
2-[2-(dimethylamino)ethyl-(1,3-thiazol-2-yl)amino]acetic acid
CID 107424767
N-(2-chloroethyl)-4-propoxy-N-propylpyrimidin-2-amine
CID 112639203
3-[ethyl(1,3-thiazol-2-yl)amino]-2-methylpropanoic acid
CID 62854028
2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107484473
3-[2-methylpropyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 82310239

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloroethyl)-N-propyl-1,3-thiazol-2-amine (CID 63392656) is N-(2-chloroethyl)-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloroethyl)-N-propyl-1,3-thiazol-2-amine is CCCN(CCCl)c1nccs1.
What is the InChIKey of N-(2-chloroethyl)-N-propyl-1,3-thiazol-2-amine?
The InChIKey is KAPVNUYUFBOXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2S/c1-2-5-11(6-3-9)8-10-4-7-12-8/h4,7H,2-3,5-6H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-propyl-1,3-thiazol-2-amine?
N-(2-chloroethyl)-N-propyl-1,3-thiazol-2-amine has a molecular weight of 204.73 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63392656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).