(5-methyl-1,3-thiazol-2-yl)-(4-propan-2-ylphenyl)methanamine

C14H18N2S — CID 43558963

IUPAC(5-methyl-1,3-thiazol-2-yl)-(4-propan-2-ylphenyl)methanamine
SMILESCc1cnc(C(N)c2ccc(C(C)C)cc2)s1
InChIInChI=1S/C14H18N2S/c1-9(2)11-4-6-12(7-5-11)13(15)14-16-8-10(3)17-14/h4-9,13H,15H2,1-3H3
InChIKeyIJZDHHMEYKVPNF-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.62
Rot. Bonds3

About (5-methyl-1,3-thiazol-2-yl)-(4-propan-2-ylphenyl)methanamine

(5-methyl-1,3-thiazol-2-yl)-(4-propan-2-ylphenyl)methanamine (PubChem CID 43558963) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is (5-methyl-1,3-thiazol-2-yl)-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(5-methyl-1,3-thiazol-2-yl)-(4-propan-2-ylphenyl)methanamine
PubChem CID43558963
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name(5-methyl-1,3-thiazol-2-yl)-(4-propan-2-ylphenyl)methanamine
SMILESCc1cnc(C(N)c2ccc(C(C)C)cc2)s1
InChIInChI=1S/C14H18N2S/c1-9(2)11-4-6-12(7-5-11)13(15)14-16-8-10(3)17-14/h4-9,13H,15H2,1-3H3
InChIKeyIJZDHHMEYKVPNF-UHFFFAOYSA-N
XLogP3.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylsulfanylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43558943
(4-ethylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559043
(5-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 43559003
(3,4-dimethoxyphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559005
(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 42252000
(2,3-dichlorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559065
(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanamine
CID 55164666
(5-bromo-2-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559026
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43558956
(5-methylthiophen-3-yl)-(4-propan-2-ylphenyl)methanamine
CID 65105067
1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 115726969
1-(4-chlorophenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 82066766

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-thiazol-2-yl)-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of (5-methyl-1,3-thiazol-2-yl)-(4-propan-2-ylphenyl)methanamine (CID 43558963) is (5-methyl-1,3-thiazol-2-yl)-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for (5-methyl-1,3-thiazol-2-yl)-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for (5-methyl-1,3-thiazol-2-yl)-(4-propan-2-ylphenyl)methanamine is Cc1cnc(C(N)c2ccc(C(C)C)cc2)s1.
What is the InChIKey of (5-methyl-1,3-thiazol-2-yl)-(4-propan-2-ylphenyl)methanamine?
The InChIKey is IJZDHHMEYKVPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-9(2)11-4-6-12(7-5-11)13(15)14-16-8-10(3)17-14/h4-9,13H,15H2,1-3H3.
What are the key properties of (5-methyl-1,3-thiazol-2-yl)-(4-propan-2-ylphenyl)methanamine?
(5-methyl-1,3-thiazol-2-yl)-(4-propan-2-ylphenyl)methanamine has a molecular weight of 246.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-thiazol-2-yl)-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 43558963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).