2-[(1R)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline

C14H19N3S — CID 103958767

IUPAC2-[(1R)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCC[C@@H](N)c1ccccc1N(C)Cc1cscn1
InChIInChI=1S/C14H19N3S/c1-3-13(15)12-6-4-5-7-14(12)17(2)8-11-9-18-10-16-11/h4-7,9-10,13H,3,8,15H2,1-2H3/t13-/m1/s1
InChIKeyHLGMPHNLQSLMMB-CYBMUJFWSA-N
MW261.39 g/mol
LogP3.19
Rot. Bonds5

About 2-[(1R)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline

2-[(1R)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 103958767) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-[(1R)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-[(1R)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID103958767
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name2-[(1R)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCC[C@@H](N)c1ccccc1N(C)Cc1cscn1
InChIInChI=1S/C14H19N3S/c1-3-13(15)12-6-4-5-7-14(12)17(2)8-11-9-18-10-16-11/h4-7,9-10,13H,3,8,15H2,1-2H3/t13-/m1/s1
InChIKeyHLGMPHNLQSLMMB-CYBMUJFWSA-N
XLogP3.19
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 103958546
2-(1-aminopropyl)-N-ethyl-N-methylaniline
CID 23460228
6-[(1S)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 103937223
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 78935356
2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 103958489
2-(1-aminopropyl)-N,N-dimethylaniline
CID 112704132
2-(2-aminobutyl)-5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63795766
2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 115994942
1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutane-1,2-diamine
CID 55021873
4-[(1R)-1-aminoethyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55189964
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 55013899
1-N-methyl-3-methylsulfonyl-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,2-diamine
CID 82003657

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 2-[(1R)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline (CID 103958767) is 2-[(1R)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2-[(1R)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 2-[(1R)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline is CC[C@@H](N)c1ccccc1N(C)Cc1cscn1.
What is the InChIKey of 2-[(1R)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is HLGMPHNLQSLMMB-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N3S/c1-3-13(15)12-6-4-5-7-14(12)17(2)8-11-9-18-10-16-11/h4-7,9-10,13H,3,8,15H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[(1R)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
2-[(1R)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 261.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 103958767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).