(4-methoxy-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine

C15H20N2OS — CID 62133738

IUPAC(4-methoxy-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
SMILESCOc1ccc(C(N)c2nc(C(C)C)cs2)cc1C
InChIInChI=1S/C15H20N2OS/c1-9(2)12-8-19-15(17-12)14(16)11-5-6-13(18-4)10(3)7-11/h5-9,14H,16H2,1-4H3
InChIKeyJCTCRGALGANKTH-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.63
Rot. Bonds4

About (4-methoxy-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine

(4-methoxy-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine (PubChem CID 62133738) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is (4-methoxy-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
PubChem CID62133738
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name(4-methoxy-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
SMILESCOc1ccc(C(N)c2nc(C(C)C)cs2)cc1C
InChIInChI=1S/C15H20N2OS/c1-9(2)12-8-19-15(17-12)14(16)11-5-6-13(18-4)10(3)7-11/h5-9,14H,16H2,1-4H3
InChIKeyJCTCRGALGANKTH-UHFFFAOYSA-N
XLogP3.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 105402306
(4-chloro-3-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 54980335
(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(4-methoxy-3-methylphenyl)methanamine
CID 55039474
4-[amino-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N,N-dimethylaniline
CID 61330087
(3,4-dimethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105141242
(4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 61330086
(4-propan-2-yl-1,3-thiazol-2-yl)-(3,4,5-trifluorophenyl)methanamine
CID 55146785
(4-methoxy-3-methylphenyl)-(4-methylphenyl)methanamine
CID 43379645
(3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine
CID 63798442
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 81283664
4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene
CID 61097588
(5-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 61347398

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (4-methoxy-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine (CID 62133738) is (4-methoxy-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (4-methoxy-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (4-methoxy-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine is COc1ccc(C(N)c2nc(C(C)C)cs2)cc1C.
What is the InChIKey of (4-methoxy-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The InChIKey is JCTCRGALGANKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-9(2)12-8-19-15(17-12)14(16)11-5-6-13(18-4)10(3)7-11/h5-9,14H,16H2,1-4H3.
What are the key properties of (4-methoxy-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
(4-methoxy-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine has a molecular weight of 276.41 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 62133738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).