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

C15H20N2S — CID 87038246

IUPAC1-(3-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1cccc(CNCc2csc(C(C)C)n2)c1
InChIInChI=1S/C15H20N2S/c1-11(2)15-17-14(10-18-15)9-16-8-13-6-4-5-12(3)7-13/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeySXQQLGREBGYQQR-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.86
Rot. Bonds5

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

1-(3-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 87038246) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID87038246
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-(3-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1cccc(CNCc2csc(C(C)C)n2)c1
InChIInChI=1S/C15H20N2S/c1-11(2)15-17-14(10-18-15)9-16-8-13-6-4-5-12(3)7-13/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeySXQQLGREBGYQQR-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(benzylamino)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66388061
N-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 29282807
N-methyl-1-[3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine
CID 66356441
N-[(3-methylphenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80708063
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
1-cyclopropyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 115589650
3,3-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butan-1-amine
CID 115589645
2-(3-methoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 110728108
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 115589690
1-[3-(methoxymethyl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54896552
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728056
3-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine
CID 115592544

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine (CID 87038246) is 1-(3-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine is Cc1cccc(CNCc2csc(C(C)C)n2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is SXQQLGREBGYQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11(2)15-17-14(10-18-15)9-16-8-13-6-4-5-12(3)7-13/h4-7,10-11,16H,8-9H2,1-3H3.
What are the key properties of 1-(3-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
1-(3-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 260.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 87038246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).