[2-[(2-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine

C18H18N2S — CID 81177624

IUPAC[2-[(2-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine
SMILESCc1ccccc1Cc1nc(-c2ccccc2)c(CN)s1
InChIInChI=1S/C18H18N2S/c1-13-7-5-6-10-15(13)11-17-20-18(16(12-19)21-17)14-8-3-2-4-9-14/h2-10H,11-12,19H2,1H3
InChIKeyBIBZJPOBUIDVDS-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.17
Rot. Bonds4

About [2-[(2-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine

[2-[(2-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine (PubChem CID 81177624) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is [2-[(2-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine
PubChem CID81177624
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name[2-[(2-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine
SMILESCc1ccccc1Cc1nc(-c2ccccc2)c(CN)s1
InChIInChI=1S/C18H18N2S/c1-13-7-5-6-10-15(13)11-17-20-18(16(12-19)21-17)14-8-3-2-4-9-14/h2-10H,11-12,19H2,1H3
InChIKeyBIBZJPOBUIDVDS-UHFFFAOYSA-N
XLogP4.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81177501
[2-(3-methylbutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81173380
[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82425639
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
5-(aminomethyl)-N,N-diethyl-4-phenyl-1,3-thiazol-2-amine
CID 62765496
[5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82106460
[5-benzyl-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82106451
[2-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81174268
2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 79782596
(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)methanamine
CID 81174347
(6-methyl-2-phenyl-3-pyridinyl)methanamine
CID 90247120
1-[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366066

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[(2-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine (CID 81177624) is [2-[(2-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[(2-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[(2-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine is Cc1ccccc1Cc1nc(-c2ccccc2)c(CN)s1.
What is the InChIKey of [2-[(2-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is BIBZJPOBUIDVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-13-7-5-6-10-15(13)11-17-20-18(16(12-19)21-17)14-8-3-2-4-9-14/h2-10H,11-12,19H2,1H3.
What are the key properties of [2-[(2-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine?
[2-[(2-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 294.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 81177624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).