N-(2-chloroethyl)-4,5-dimethyl-N-pentan-3-yl-1,3-thiazol-2-amine

C12H21ClN2S — CID 65169152

IUPACN-(2-chloroethyl)-4,5-dimethyl-N-pentan-3-yl-1,3-thiazol-2-amine
SMILESCCC(CC)N(CCCl)c1nc(C)c(C)s1
InChIInChI=1S/C12H21ClN2S/c1-5-11(6-2)15(8-7-13)12-14-9(3)10(4)16-12/h11H,5-8H2,1-4H3
InChIKeyNOSIVTGCKIFSIZ-UHFFFAOYSA-N
MW260.83 g/mol
LogP3.99
Rot. Bonds6

About N-(2-chloroethyl)-4,5-dimethyl-N-pentan-3-yl-1,3-thiazol-2-amine

N-(2-chloroethyl)-4,5-dimethyl-N-pentan-3-yl-1,3-thiazol-2-amine (PubChem CID 65169152) has the molecular formula C12H21ClN2S and a molecular weight of 260.83 g/mol. Its IUPAC name is N-(2-chloroethyl)-4,5-dimethyl-N-pentan-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-4,5-dimethyl-N-pentan-3-yl-1,3-thiazol-2-amine
PubChem CID65169152
Molecular FormulaC12H21ClN2S
Molecular Weight260.83 g/mol
Exact Mass260.11
IUPAC NameN-(2-chloroethyl)-4,5-dimethyl-N-pentan-3-yl-1,3-thiazol-2-amine
SMILESCCC(CC)N(CCCl)c1nc(C)c(C)s1
InChIInChI=1S/C12H21ClN2S/c1-5-11(6-2)15(8-7-13)12-14-9(3)10(4)16-12/h11H,5-8H2,1-4H3
InChIKeyNOSIVTGCKIFSIZ-UHFFFAOYSA-N
XLogP3.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.83
LogP ≤ 53.99
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-(2-chloroethyl)-4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 65169037
N-(2-chloroethyl)-3-ethyl-N-pentan-3-yl-1,2,4-thiadiazol-5-amine
CID 65277749
N-(2-chloroethyl)-N-cyclopentyl-4,5-dimethyl-1,3-thiazol-2-amine
CID 65168874
N-(2-bromoethyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 80690180
N-(2-bromoethyl)-5-methyl-N-pentan-3-yl-1,3,4-thiadiazol-2-amine
CID 80680312
N-(2-chloroethyl)-5-methyl-N-pentan-3-ylpyridazin-3-amine
CID 106550626
N-(2-chloroethyl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 63390383
5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine
CID 79489574
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-propylpropane-1,3-diamine
CID 65169679
4-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]butan-2-ol
CID 115691904
[4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]methanol
CID 80692406
N-(2-chloroethyl)-N-pentan-3-yl-2,1-benzothiazol-3-amine
CID 66354069

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-4,5-dimethyl-N-pentan-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloroethyl)-4,5-dimethyl-N-pentan-3-yl-1,3-thiazol-2-amine (CID 65169152) is N-(2-chloroethyl)-4,5-dimethyl-N-pentan-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-4,5-dimethyl-N-pentan-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloroethyl)-4,5-dimethyl-N-pentan-3-yl-1,3-thiazol-2-amine is CCC(CC)N(CCCl)c1nc(C)c(C)s1.
What is the InChIKey of N-(2-chloroethyl)-4,5-dimethyl-N-pentan-3-yl-1,3-thiazol-2-amine?
The InChIKey is NOSIVTGCKIFSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2S/c1-5-11(6-2)15(8-7-13)12-14-9(3)10(4)16-12/h11H,5-8H2,1-4H3.
What are the key properties of N-(2-chloroethyl)-4,5-dimethyl-N-pentan-3-yl-1,3-thiazol-2-amine?
N-(2-chloroethyl)-4,5-dimethyl-N-pentan-3-yl-1,3-thiazol-2-amine has a molecular weight of 260.83 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-4,5-dimethyl-N-pentan-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 65169152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).