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

C14H17ClN2S — CID 65029172

IUPACN-(1-chloro-3-phenylpropan-2-yl)-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NC(CCl)Cc2ccccc2)n1
InChIInChI=1S/C14H17ClN2S/c1-2-12-10-18-14(16-12)17-13(9-15)8-11-6-4-3-5-7-11/h3-7,10,13H,2,8-9H2,1H3,(H,16,17)
InChIKeyGMAREQQETIZTDD-UHFFFAOYSA-N
MW280.82 g/mol
LogP3.97
Rot. Bonds6

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

N-(1-chloro-3-phenylpropan-2-yl)-4-ethyl-1,3-thiazol-2-amine (PubChem CID 65029172) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is N-(1-chloro-3-phenylpropan-2-yl)-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-chloro-3-phenylpropan-2-yl)-4-ethyl-1,3-thiazol-2-amine
PubChem CID65029172
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC NameN-(1-chloro-3-phenylpropan-2-yl)-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NC(CCl)Cc2ccccc2)n1
InChIInChI=1S/C14H17ClN2S/c1-2-12-10-18-14(16-12)17-13(9-15)8-11-6-4-3-5-7-11/h3-7,10,13H,2,8-9H2,1H3,(H,16,17)
InChIKeyGMAREQQETIZTDD-UHFFFAOYSA-N
XLogP3.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-(4-ethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine
CID 55242376
N-(1-chloro-3-phenylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 65029170
N-(1-chloro-3-methylbutan-2-yl)-4-ethyl-1,3-thiazol-2-amine
CID 79260231
N-(1-chloro-3-phenylpropan-2-yl)ethanesulfonamide
CID 65030823
2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-phenylpropane-1,2-diamine
CID 65277594
3-[(4-ethyl-1,3-thiazol-2-yl)amino]pentan-1-ol
CID 115691889
N-[1-(2-aminophenyl)ethyl]-4-ethyl-1,3-thiazol-2-amine
CID 55152929
N-(1-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine
CID 107648590
N-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide
CID 114300346
2-N-(4-ethyl-1,3-thiazol-2-yl)hexane-1,2-diamine
CID 80704374
N-(1-chloro-3-phenylpropan-2-yl)-6-ethoxypyrazin-2-amine
CID 65029274
N-(1-chloro-3-phenylpropan-2-yl)-3-ethyltriazol-4-amine
CID 114223426

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-4-ethyl-1,3-thiazol-2-amine (CID 65029172) is N-(1-chloro-3-phenylpropan-2-yl)-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-chloro-3-phenylpropan-2-yl)-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-chloro-3-phenylpropan-2-yl)-4-ethyl-1,3-thiazol-2-amine is CCc1csc(NC(CCl)Cc2ccccc2)n1.
What is the InChIKey of N-(1-chloro-3-phenylpropan-2-yl)-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is GMAREQQETIZTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-2-12-10-18-14(16-12)17-13(9-15)8-11-6-4-3-5-7-11/h3-7,10,13H,2,8-9H2,1H3,(H,16,17).
What are the key properties of N-(1-chloro-3-phenylpropan-2-yl)-4-ethyl-1,3-thiazol-2-amine?
N-(1-chloro-3-phenylpropan-2-yl)-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 280.82 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-phenylpropan-2-yl)-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 65029172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).