N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine

C15H20N2S — CID 115586423

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine
SMILESCC(C)(C)c1nc(CNCc2ccccc2)cs1
InChIInChI=1S/C15H20N2S/c1-15(2,3)14-17-13(11-18-14)10-16-9-12-7-5-4-6-8-12/h4-8,11,16H,9-10H2,1-3H3
InChIKeyNINRHWPWQRVNPF-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.73
Rot. Bonds4

About N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine (PubChem CID 115586423) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine
PubChem CID115586423
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine
SMILESCC(C)(C)c1nc(CNCc2ccccc2)cs1
InChIInChI=1S/C15H20N2S/c1-15(2,3)14-17-13(11-18-14)10-16-9-12-7-5-4-6-8-12/h4-8,11,16H,9-10H2,1-3H3
InChIKeyNINRHWPWQRVNPF-UHFFFAOYSA-N
XLogP3.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]methanamine
CID 115597102
4-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]benzoic acid
CID 120509449
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 51120109
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(3-ethoxyphenyl)methanamine
CID 115586619
3-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]benzamide
CID 115591998
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
CID 115603242
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 115614174
1-[4-[(benzylamino)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66388061
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
CID 115607824
4-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 47611564
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 115629587
(1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine
CID 114985501

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine (CID 115586423) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine is CC(C)(C)c1nc(CNCc2ccccc2)cs1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine?
The InChIKey is NINRHWPWQRVNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-15(2,3)14-17-13(11-18-14)10-16-9-12-7-5-4-6-8-12/h4-8,11,16H,9-10H2,1-3H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine has a molecular weight of 260.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 115586423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).