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

C15H20N2S — CID 30049651

IUPAC4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCCCCc1ccc(NCc2csc(C)n2)cc1
InChIInChI=1S/C15H20N2S/c1-3-4-5-13-6-8-14(9-7-13)16-10-15-11-18-12(2)17-15/h6-9,11,16H,3-5,10H2,1-2H3
InChIKeyJXCNWBCVRSNRGD-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.41
Rot. Bonds6

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

4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 30049651) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID30049651
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCCCCc1ccc(NCc2csc(C)n2)cc1
InChIInChI=1S/C15H20N2S/c1-3-4-5-13-6-8-14(9-7-13)16-10-15-11-18-12(2)17-15/h6-9,11,16H,3-5,10H2,1-2H3
InChIKeyJXCNWBCVRSNRGD-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43745271
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-pentylaniline
CID 104769646
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 43139161
N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 43742551
4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 43704886
4-propyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline
CID 112796910
4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline
CID 60685123
4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749224
4-butyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43769718
1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridin-2-one
CID 54863936
3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780943
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 28781201

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (CID 30049651) is 4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is CCCCc1ccc(NCc2csc(C)n2)cc1.
What is the InChIKey of 4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is JXCNWBCVRSNRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-4-5-13-6-8-14(9-7-13)16-10-15-11-18-12(2)17-15/h6-9,11,16H,3-5,10H2,1-2H3.
What are the key properties of 4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 260.41 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 30049651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).