5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine

C16H21N3S — CID 120898292

IUPAC5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
SMILESCCc1ccc(CN(Cc2cnc(N)s2)C2CC2)cc1
InChIInChI=1S/C16H21N3S/c1-2-12-3-5-13(6-4-12)10-19(14-7-8-14)11-15-9-18-16(17)20-15/h3-6,9,14H,2,7-8,10-11H2,1H3,(H2,17,18)
InChIKeyZULKLAUPQDIKOW-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.45
Rot. Bonds6

About 5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine

5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine (PubChem CID 120898292) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
PubChem CID120898292
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
SMILESCCc1ccc(CN(Cc2cnc(N)s2)C2CC2)cc1
InChIInChI=1S/C16H21N3S/c1-2-12-3-5-13(6-4-12)10-19(14-7-8-14)11-15-9-18-16(17)20-15/h3-6,9,14H,2,7-8,10-11H2,1H3,(H2,17,18)
InChIKeyZULKLAUPQDIKOW-UHFFFAOYSA-N
XLogP3.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

5-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-amine
CID 79772205
5-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 120898371
5-[[(3-bromophenyl)methyl-(oxan-4-yl)amino]methyl]-1,3-thiazol-2-amine
CID 120904049
5-[[(5-bromo-2-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine
CID 120902643
5-[[(3-bromophenyl)methyl-(oxan-4-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904048
2-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopentylamino]ethanol
CID 79771274
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-ethylphenyl)methyl]cyclopropanamine
CID 60500388
5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898662
5-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898694
methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopropylamino]-2-methylpropanoate;hydrochloride
CID 120902091
5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 79772479
5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 79772146

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine (CID 120898292) is 5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine is CCc1ccc(CN(Cc2cnc(N)s2)C2CC2)cc1.
What is the InChIKey of 5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is ZULKLAUPQDIKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-2-12-3-5-13(6-4-12)10-19(14-7-8-14)11-15-9-18-16(17)20-15/h3-6,9,14H,2,7-8,10-11H2,1H3,(H2,17,18).
What are the key properties of 5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine?
5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 287.43 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120898292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).