1-(4-cyclopropylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine

C15H18N2S — CID 79978863

IUPAC1-(4-cyclopropylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1nc(CNCc2ccc(C3CC3)cc2)cs1
InChIInChI=1S/C15H18N2S/c1-11-17-15(10-18-11)9-16-8-12-2-4-13(5-3-12)14-6-7-14/h2-5,10,14,16H,6-9H2,1H3
InChIKeyZAOGSELZDGCKAT-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.62
Rot. Bonds5

About 1-(4-cyclopropylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine

1-(4-cyclopropylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 79978863) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID79978863
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name1-(4-cyclopropylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1nc(CNCc2ccc(C3CC3)cc2)cs1
InChIInChI=1S/C15H18N2S/c1-11-17-15(10-18-11)9-16-8-12-2-4-13(5-3-12)14-6-7-14/h2-5,10,14,16H,6-9H2,1H3
InChIKeyZAOGSELZDGCKAT-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-iodophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 65479206
N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 79980351
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(4-pyridin-2-ylphenyl)methanamine
CID 131899021
N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 60960976
1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 60664468
1-(4-cyclopropylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 79978937
[4-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 106044942
N-[(4-cyclopropylphenyl)methyl]-2-methylpropan-1-amine
CID 79979534
1-[2-fluoro-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]piperidin-4-ol
CID 47625289
2-methyl-2-[4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]sulfanylpropanoic acid
CID 69244017
3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 66006508
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
CID 60999909

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-cyclopropylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (CID 79978863) is 1-(4-cyclopropylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-cyclopropylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is Cc1nc(CNCc2ccc(C3CC3)cc2)cs1.
What is the InChIKey of 1-(4-cyclopropylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is ZAOGSELZDGCKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11-17-15(10-18-11)9-16-8-12-2-4-13(5-3-12)14-6-7-14/h2-5,10,14,16H,6-9H2,1H3.
What are the key properties of 1-(4-cyclopropylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
1-(4-cyclopropylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 258.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 79978863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).