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

C13H16N2S — CID 60927080

IUPACN-butan-2-yl-4-(1,3-thiazol-2-yl)aniline
SMILESCCC(C)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C13H16N2S/c1-3-10(2)15-12-6-4-11(5-7-12)13-14-8-9-16-13/h4-10,15H,3H2,1-2H3
InChIKeyDDVLVZDZNYXISP-UHFFFAOYSA-N
MW232.35 g/mol
LogP4.02
Rot. Bonds4

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

N-butan-2-yl-4-(1,3-thiazol-2-yl)aniline (PubChem CID 60927080) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-butan-2-yl-4-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-butan-2-yl-4-(1,3-thiazol-2-yl)aniline
PubChem CID60927080
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-butan-2-yl-4-(1,3-thiazol-2-yl)aniline
SMILESCCC(C)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C13H16N2S/c1-3-10(2)15-12-6-4-11(5-7-12)13-14-8-9-16-13/h4-10,15H,3H2,1-2H3
InChIKeyDDVLVZDZNYXISP-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexan-2-yl-4-(1,3-thiazol-2-yl)aniline
CID 54862009
N-(1-cyclopropylpropyl)-4-(1,3-thiazol-2-yl)aniline
CID 64918421
N-(2-ethylbutyl)-4-(1,3-thiazol-2-yl)aniline
CID 54861913
N-(1-piperidin-2-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)aniline
CID 79537841
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline
CID 60927533
N-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline
CID 54864648
N-[1-(3-chlorophenyl)ethyl]-4-(1,3-thiazol-2-yl)aniline
CID 60928680
N-(2,2-dimethoxyethyl)-4-(1,3-thiazol-2-yl)aniline
CID 63696540
N-octyl-4-(1,3-thiazol-2-yl)aniline
CID 63448826
2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 54862203
(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 54995648

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-butan-2-yl-4-(1,3-thiazol-2-yl)aniline (CID 60927080) is N-butan-2-yl-4-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-butan-2-yl-4-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-butan-2-yl-4-(1,3-thiazol-2-yl)aniline is CCC(C)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of N-butan-2-yl-4-(1,3-thiazol-2-yl)aniline?
The InChIKey is DDVLVZDZNYXISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-3-10(2)15-12-6-4-11(5-7-12)13-14-8-9-16-13/h4-10,15H,3H2,1-2H3.
What are the key properties of N-butan-2-yl-4-(1,3-thiazol-2-yl)aniline?
N-butan-2-yl-4-(1,3-thiazol-2-yl)aniline has a molecular weight of 232.35 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 60927080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).