2-methyl-N-[[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine

C17H24N2OS — CID 62545171

IUPAC2-methyl-N-[[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCCCOc1ccc(-c2csc(CNC(C)(C)C)n2)cc1
InChIInChI=1S/C17H24N2OS/c1-5-10-20-14-8-6-13(7-9-14)15-12-21-16(19-15)11-18-17(2,3)4/h6-9,12,18H,5,10-11H2,1-4H3
InChIKeyLJBHTNSMASBNMJ-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.49
Rot. Bonds6

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

2-methyl-N-[[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine (PubChem CID 62545171) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-methyl-N-[[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
PubChem CID62545171
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-methyl-N-[[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCCCOc1ccc(-c2csc(CNC(C)(C)C)n2)cc1
InChIInChI=1S/C17H24N2OS/c1-5-10-20-14-8-6-13(7-9-14)15-12-21-16(19-15)11-18-17(2,3)4/h6-9,12,18H,5,10-11H2,1-4H3
InChIKeyLJBHTNSMASBNMJ-UHFFFAOYSA-N
XLogP4.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62542712
4-(4-propoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 63473179
N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558378
3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 65039690
N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62542554
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62542694
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 1497789
2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 3414920
4-(4-methoxyphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110534560
2-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole
CID 20944735
4-propoxy-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63656225
N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55129658

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine (CID 62545171) is 2-methyl-N-[[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine is CCCOc1ccc(-c2csc(CNC(C)(C)C)n2)cc1.
What is the InChIKey of 2-methyl-N-[[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The InChIKey is LJBHTNSMASBNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-5-10-20-14-8-6-13(7-9-14)15-12-21-16(19-15)11-18-17(2,3)4/h6-9,12,18H,5,10-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62545171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).