3-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propyl]aniline

C14H19N3S — CID 113290648

IUPAC3-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propyl]aniline
SMILESCc1csc(CNCCCc2cccc(N)c2)n1
InChIInChI=1S/C14H19N3S/c1-11-10-18-14(17-11)9-16-7-3-5-12-4-2-6-13(15)8-12/h2,4,6,8,10,16H,3,5,7,9,15H2,1H3
InChIKeyNBIRMIFCKBNDCX-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.76
Rot. Bonds6

About 3-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propyl]aniline

3-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propyl]aniline (PubChem CID 113290648) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propyl]aniline.

Molecular Properties

Compound Name3-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propyl]aniline
PubChem CID113290648
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name3-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propyl]aniline
SMILESCc1csc(CNCCCc2cccc(N)c2)n1
InChIInChI=1S/C14H19N3S/c1-11-10-18-14(17-11)9-16-7-3-5-12-4-2-6-13(15)8-12/h2,4,6,8,10,16H,3,5,7,9,15H2,1H3
InChIKeyNBIRMIFCKBNDCX-UHFFFAOYSA-N
XLogP2.76
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Methyl-thiazol-4-yl)-phenylamine
CID 736535
2-Methyl-4-(4-aminophenyl)thiazole
CID 152684
4-Phenyl-2-thiazoleethanamine
CID 1497794
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)aniline
CID 9838376
2-(4-Phenyl-thiazol-2-yl)-ethylamine hydrochloride
CID 16192921
(2-Phenyl-1,3-thiazol-4-yl)methanamine
CID 736526
N-(2,5-dimethylphenyl)-2-[4-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 4827418
N'-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]butane-1,4-diamine
CID 135313717
3-(2-Phenyl-thiazol-4-yl)-phenylamine
CID 737901
4-(4-Methyl-1,3-thiazol-2-yl)aniline
CID 459110
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)methanamine
CID 600157
N-(3-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3461042

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propyl]aniline?
The IUPAC name of 3-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propyl]aniline (CID 113290648) is 3-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propyl]aniline.
What is the SMILES notation for 3-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propyl]aniline?
The canonical SMILES for 3-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propyl]aniline is Cc1csc(CNCCCc2cccc(N)c2)n1.
What is the InChIKey of 3-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propyl]aniline?
The InChIKey is NBIRMIFCKBNDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-11-10-18-14(17-11)9-16-7-3-5-12-4-2-6-13(15)8-12/h2,4,6,8,10,16H,3,5,7,9,15H2,1H3.
What are the key properties of 3-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propyl]aniline?
3-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propyl]aniline has a molecular weight of 261.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propyl]aniline is sourced from PubChem (CID 113290648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).