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

C16H22N2OS — CID 61280499

IUPACN-[[2-(3-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1csc(-c2cccc(OC(C)C)c2)n1
InChIInChI=1S/C16H22N2OS/c1-4-8-17-10-14-11-20-16(18-14)13-6-5-7-15(9-13)19-12(2)3/h5-7,9,11-12,17H,4,8,10H2,1-3H3
InChIKeyORKAYLSGCBZUGN-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.10
Rot. Bonds7

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

N-[[2-(3-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine (PubChem CID 61280499) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[2-(3-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
PubChem CID61280499
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[[2-(3-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1csc(-c2cccc(OC(C)C)c2)n1
InChIInChI=1S/C16H22N2OS/c1-4-8-17-10-14-11-20-16(18-14)13-6-5-7-15(9-13)19-12(2)3/h5-7,9,11-12,17H,4,8,10H2,1-3H3
InChIKeyORKAYLSGCBZUGN-UHFFFAOYSA-N
XLogP4.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(3,5-dichlorophenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 61280310
[2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine
CID 55078974
N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65183599
N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 4826071
3-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 107921704
N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 105379277
N-ethyl-N-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066531
N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 56810052
2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole
CID 146521628
N-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281646
3-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylamino]-N-propan-2-ylpropanamide
CID 119111004
N-[[2-(2-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 54979038

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine (CID 61280499) is N-[[2-(3-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine is CCCNCc1csc(-c2cccc(OC(C)C)c2)n1.
What is the InChIKey of N-[[2-(3-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The InChIKey is ORKAYLSGCBZUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-8-17-10-14-11-20-16(18-14)13-6-5-7-15(9-13)19-12(2)3/h5-7,9,11-12,17H,4,8,10H2,1-3H3.
What are the key properties of N-[[2-(3-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
N-[[2-(3-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 61280499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).