4-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]aniline

C14H19N3S — CID 80556664

IUPAC4-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]aniline
SMILESCC(C)(CNCc1cscn1)c1ccc(N)cc1
InChIInChI=1S/C14H19N3S/c1-14(2,11-3-5-12(15)6-4-11)9-16-7-13-8-18-10-17-13/h3-6,8,10,16H,7,9,15H2,1-2H3
InChIKeyQEUNTRULWQSGSI-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.79
Rot. Bonds5

About 4-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]aniline

4-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]aniline (PubChem CID 80556664) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 4-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]aniline.

Molecular Properties

Compound Name4-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]aniline
PubChem CID80556664
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name4-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]aniline
SMILESCC(C)(CNCc1cscn1)c1ccc(N)cc1
InChIInChI=1S/C14H19N3S/c1-14(2,11-3-5-12(15)6-4-11)9-16-7-13-8-18-10-17-13/h3-6,8,10,16H,7,9,15H2,1-2H3
InChIKeyQEUNTRULWQSGSI-UHFFFAOYSA-N
XLogP2.79
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol
CID 81412166
2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol
CID 115763821
2,2-diethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 115432832
methyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate
CID 75501528
2-methyl-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 61171194
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
4-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]aniline
CID 63825390
2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine
CID 63830940
2-bromo-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine
CID 63830938
6-[(1,3-thiazol-4-ylmethylamino)methyl]pyridin-3-ol
CID 79794983
N-[(2-methylpropan-2-yl)oxy]-1-(1,3-thiazol-4-yl)methanamine
CID 82720392
6-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 81497978

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]aniline?
The IUPAC name of 4-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]aniline (CID 80556664) is 4-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]aniline.
What is the SMILES notation for 4-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]aniline?
The canonical SMILES for 4-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]aniline is CC(C)(CNCc1cscn1)c1ccc(N)cc1.
What is the InChIKey of 4-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]aniline?
The InChIKey is QEUNTRULWQSGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-14(2,11-3-5-12(15)6-4-11)9-16-7-13-8-18-10-17-13/h3-6,8,10,16H,7,9,15H2,1-2H3.
What are the key properties of 4-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]aniline?
4-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]aniline has a molecular weight of 261.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]aniline is sourced from PubChem (CID 80556664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).