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

C16H22N2S — CID 114363582

IUPACN-methyl-1-[2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(Cc2ccc(C)cc2)sc1CNC
InChIInChI=1S/C16H22N2S/c1-4-5-14-15(11-17-3)19-16(18-14)10-13-8-6-12(2)7-9-13/h6-9,17H,4-5,10-11H2,1-3H3
InChIKeyXWRXTTJFCMUEAF-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.71
Rot. Bonds6

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

N-methyl-1-[2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methanamine (PubChem CID 114363582) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-methyl-1-[2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methanamine
PubChem CID114363582
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-methyl-1-[2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(Cc2ccc(C)cc2)sc1CNC
InChIInChI=1S/C16H22N2S/c1-4-5-14-15(11-17-3)19-16(18-14)10-13-8-6-12(2)7-9-13/h6-9,17H,4-5,10-11H2,1-3H3
InChIKeyXWRXTTJFCMUEAF-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363402
N-methyl-1-[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82431617
N-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431618
2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82154835
N-[(2-benzyl-4-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 82431466
N-methyl-1-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432115
N-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431840
1-[2-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363616
1-[2-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368265
N-methyl-1-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methanamine
CID 82433121
1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366014
N-methyl-5-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62780134

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methanamine (CID 114363582) is N-methyl-1-[2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methanamine is CCCc1nc(Cc2ccc(C)cc2)sc1CNC.
What is the InChIKey of N-methyl-1-[2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is XWRXTTJFCMUEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-4-5-14-15(11-17-3)19-16(18-14)10-13-8-6-12(2)7-9-13/h6-9,17H,4-5,10-11H2,1-3H3.
What are the key properties of N-methyl-1-[2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 274.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114363582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).