N-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline

C15H14N2OS — CID 43714289

IUPACN-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCc1nc(-c2cccc(NCc3ccco3)c2)cs1
InChIInChI=1S/C15H14N2OS/c1-11-17-15(10-19-11)12-4-2-5-13(8-12)16-9-14-6-3-7-18-14/h2-8,10,16H,9H2,1H3
InChIKeyAXKYWZXVQZARHG-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.32
Rot. Bonds4

About N-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline

N-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline (PubChem CID 43714289) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
PubChem CID43714289
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCc1nc(-c2cccc(NCc3ccco3)c2)cs1
InChIInChI=1S/C15H14N2OS/c1-11-17-15(10-19-11)12-4-2-5-13(8-12)16-9-14-6-3-7-18-14/h2-8,10,16H,9H2,1H3
InChIKeyAXKYWZXVQZARHG-UHFFFAOYSA-N
XLogP4.32
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 54865266
3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 43714292
4-(3-bromophenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 30330546
N-(2,2-dimethoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 55233873
3-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-4-ylmethyl)aniline
CID 62384496
3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline
CID 82833997
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
1-[3-(furan-2-ylmethylamino)phenyl]propan-1-one
CID 122234636
2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573268
3-ethylsulfanyl-N-(furan-2-ylmethyl)aniline
CID 115744245
N-(5-methylheptan-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43714309
N-heptan-3-yl-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 63945706

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline?
The IUPAC name of N-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline (CID 43714289) is N-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline is Cc1nc(-c2cccc(NCc3ccco3)c2)cs1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline?
The InChIKey is AXKYWZXVQZARHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-11-17-15(10-19-11)12-4-2-5-13(8-12)16-9-14-6-3-7-18-14/h2-8,10,16H,9H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline?
N-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline has a molecular weight of 270.36 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 43714289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).