N-(1-cyclopropylpropyl)-4-(1,3-thiazol-2-yl)aniline

C15H18N2S — CID 64918421

IUPACN-(1-cyclopropylpropyl)-4-(1,3-thiazol-2-yl)aniline
SMILESCCC(Nc1ccc(-c2nccs2)cc1)C1CC1
InChIInChI=1S/C15H18N2S/c1-2-14(11-3-4-11)17-13-7-5-12(6-8-13)15-16-9-10-18-15/h5-11,14,17H,2-4H2,1H3
InChIKeyFEUQTHWYDZOULL-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.41
Rot. Bonds5

About N-(1-cyclopropylpropyl)-4-(1,3-thiazol-2-yl)aniline

N-(1-cyclopropylpropyl)-4-(1,3-thiazol-2-yl)aniline (PubChem CID 64918421) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(1-cyclopropylpropyl)-4-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(1-cyclopropylpropyl)-4-(1,3-thiazol-2-yl)aniline
PubChem CID64918421
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-(1-cyclopropylpropyl)-4-(1,3-thiazol-2-yl)aniline
SMILESCCC(Nc1ccc(-c2nccs2)cc1)C1CC1
InChIInChI=1S/C15H18N2S/c1-2-14(11-3-4-11)17-13-7-5-12(6-8-13)15-16-9-10-18-15/h5-11,14,17H,2-4H2,1H3
InChIKeyFEUQTHWYDZOULL-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropyl)-4-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-(1-cyclopropylpropyl)-4-(1,3-thiazol-2-yl)aniline (CID 64918421) is N-(1-cyclopropylpropyl)-4-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-(1-cyclopropylpropyl)-4-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-(1-cyclopropylpropyl)-4-(1,3-thiazol-2-yl)aniline is CCC(Nc1ccc(-c2nccs2)cc1)C1CC1.
What is the InChIKey of N-(1-cyclopropylpropyl)-4-(1,3-thiazol-2-yl)aniline?
The InChIKey is FEUQTHWYDZOULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-2-14(11-3-4-11)17-13-7-5-12(6-8-13)15-16-9-10-18-15/h5-11,14,17H,2-4H2,1H3.
What are the key properties of N-(1-cyclopropylpropyl)-4-(1,3-thiazol-2-yl)aniline?
N-(1-cyclopropylpropyl)-4-(1,3-thiazol-2-yl)aniline has a molecular weight of 258.39 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropyl)-4-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 64918421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).