5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine

C17H23N3S — CID 62768575

IUPAC5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)c2ccc(C)cc2)sc1CNC1CC1
InChIInChI=1S/C17H23N3S/c1-4-15-16(11-18-13-7-8-13)21-17(19-15)20(3)14-9-5-12(2)6-10-14/h5-6,9-10,13,18H,4,7-8,11H2,1-3H3
InChIKeyWCBXAYCAGHCXAN-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.03
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine

5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 62768575) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID62768575
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)c2ccc(C)cc2)sc1CNC1CC1
InChIInChI=1S/C17H23N3S/c1-4-15-16(11-18-13-7-8-13)21-17(19-15)20(3)14-9-5-12(2)6-10-14/h5-6,9-10,13,18H,4,7-8,11H2,1-3H3
InChIKeyWCBXAYCAGHCXAN-UHFFFAOYSA-N
XLogP4.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(cyclopropylamino)methyl]-4-ethyl-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62766848
5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
CID 62766659
N-cyclopropyl-5-[(cyclopropylamino)methyl]-4-ethyl-N-propyl-1,3-thiazol-2-amine
CID 55117506
5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine
CID 115987966
N-[[4-ethyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82430235
5-[(cyclopropylamino)methyl]-N,4-diethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767508
N-[[2-(2-bromo-4-methylphenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107915419
N-[[4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107932024
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428112
N-[[4-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82429046
5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
CID 107509734
N-[[4-ethyl-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841788

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine (CID 62768575) is 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine is CCc1nc(N(C)c2ccc(C)cc2)sc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is WCBXAYCAGHCXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-4-15-16(11-18-13-7-8-13)21-17(19-15)20(3)14-9-5-12(2)6-10-14/h5-6,9-10,13,18H,4,7-8,11H2,1-3H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 301.46 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62768575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).