N-(5-methylheptan-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)aniline

C18H26N2S — CID 43714309

IUPACN-(5-methylheptan-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCCC(C)CC(CC)Nc1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C18H26N2S/c1-5-13(3)10-16(6-2)20-17-9-7-8-15(11-17)18-12-21-14(4)19-18/h7-9,11-13,16,20H,5-6,10H2,1-4H3
InChIKeyIVWDADKOOQKDDT-UHFFFAOYSA-N
MW302.49 g/mol
LogP5.75
Rot. Bonds7

About N-(5-methylheptan-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)aniline

N-(5-methylheptan-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)aniline (PubChem CID 43714309) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-(5-methylheptan-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)aniline.

Molecular Properties

Compound NameN-(5-methylheptan-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
PubChem CID43714309
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-(5-methylheptan-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCCC(C)CC(CC)Nc1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C18H26N2S/c1-5-13(3)10-16(6-2)20-17-9-7-8-15(11-17)18-12-21-14(4)19-18/h7-9,11-13,16,20H,5-6,10H2,1-4H3
InChIKeyIVWDADKOOQKDDT-UHFFFAOYSA-N
XLogP5.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.49
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-heptan-3-yl-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 63945706
N-(5-methylheptan-3-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 63450959
N-(1-cyclopropylethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43714323
1-[(2R)-butan-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 100560500
N-(2,2-dimethoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 55233873
2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 43699209
3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 54924319
5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptan-3-amine
CID 61281288
2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573268
3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 43714292
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366238

Frequently Asked Questions

What is the IUPAC name of N-(5-methylheptan-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)aniline?
The IUPAC name of N-(5-methylheptan-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)aniline (CID 43714309) is N-(5-methylheptan-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)aniline.
What is the SMILES notation for N-(5-methylheptan-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)aniline?
The canonical SMILES for N-(5-methylheptan-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)aniline is CCC(C)CC(CC)Nc1cccc(-c2csc(C)n2)c1.
What is the InChIKey of N-(5-methylheptan-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)aniline?
The InChIKey is IVWDADKOOQKDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-5-13(3)10-16(6-2)20-17-9-7-8-15(11-17)18-12-21-14(4)19-18/h7-9,11-13,16,20H,5-6,10H2,1-4H3.
What are the key properties of N-(5-methylheptan-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)aniline?
N-(5-methylheptan-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)aniline has a molecular weight of 302.49 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylheptan-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 43714309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).