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

C13H16N2S2 — CID 62578541

IUPACN-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]aniline
SMILESCc1csc(SC(C)CNc2ccccc2)n1
InChIInChI=1S/C13H16N2S2/c1-10-9-16-13(15-10)17-11(2)8-14-12-6-4-3-5-7-12/h3-7,9,11,14H,8H2,1-2H3
InChIKeyUPZGWBBGFNJSSQ-UHFFFAOYSA-N
MW264.42 g/mol
LogP4.04
Rot. Bonds5

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

N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]aniline (PubChem CID 62578541) has the molecular formula C13H16N2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]aniline.

Molecular Properties

Compound NameN-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]aniline
PubChem CID62578541
Molecular FormulaC13H16N2S2
Molecular Weight264.42 g/mol
Exact Mass264.08
IUPAC NameN-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]aniline
SMILESCc1csc(SC(C)CNc2ccccc2)n1
InChIInChI=1S/C13H16N2S2/c1-10-9-16-13(15-10)17-11(2)8-14-12-6-4-3-5-7-12/h3-7,9,11,14H,8H2,1-2H3
InChIKeyUPZGWBBGFNJSSQ-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]aniline?
The IUPAC name of N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]aniline (CID 62578541) is N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]aniline.
What is the SMILES notation for N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]aniline?
The canonical SMILES for N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]aniline is Cc1csc(SC(C)CNc2ccccc2)n1.
What is the InChIKey of N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]aniline?
The InChIKey is UPZGWBBGFNJSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S2/c1-10-9-16-13(15-10)17-11(2)8-14-12-6-4-3-5-7-12/h3-7,9,11,14H,8H2,1-2H3.
What are the key properties of N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]aniline?
N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]aniline has a molecular weight of 264.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]aniline is sourced from PubChem (CID 62578541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).