N-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline

C17H23N3S — CID 60936185

IUPACN-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
SMILESCC(Nc1cccc(-c2nccs2)c1)C1CCCN(C)C1
InChIInChI=1S/C17H23N3S/c1-13(15-6-4-9-20(2)12-15)19-16-7-3-5-14(11-16)17-18-8-10-21-17/h3,5,7-8,10-11,13,15,19H,4,6,9,12H2,1-2H3
InChIKeyBISWOEWFSHAYDI-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.95
Rot. Bonds4

About N-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline

N-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline (PubChem CID 60936185) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
PubChem CID60936185
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
SMILESCC(Nc1cccc(-c2nccs2)c1)C1CCCN(C)C1
InChIInChI=1S/C17H23N3S/c1-13(15-6-4-9-20(2)12-15)19-16-7-3-5-14(11-16)17-18-8-10-21-17/h3,5,7-8,10-11,13,15,19H,4,6,9,12H2,1-2H3
InChIKeyBISWOEWFSHAYDI-UHFFFAOYSA-N
XLogP3.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-thiazol-2-ylpiperidin-1-yl)-N-(m-tolyl)acetamide
CID 16094675
2-Phenyl-4-pyridin-3-yl-1,3-thiazole
CID 2725998
N'-(5,6,7,8-tetrahydroquinolin-8-yl)-N'-(thiazol-2-ylmethyl)butane-1,4-diamine
CID 46888704
4-(4-Phenyl-1,3-thiazol-2-yl)-2-propylpyridine
CID 619958
4-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-methyl-1-(3-methylphenyl)piperazine
CID 3744935
4-(2-Pyridin-3-yl-1,3-thiazol-4-yl)aniline
CID 1446108
4-(2-(2-Propylpyridin-4-yl)thiazol-4-yl)benzenamine
CID 25012739
n-Isopropyl-4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)benzenamine
CID 25012896
N-benzyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 25012899
N-(cyclopropylmethyl)-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 25012900
Thiazolium, 2-(p-(dimethylamino)phenyl)-3-methyl-, iodide
CID 209189
4-(1,3-Thiazol-2-yl)aniline
CID 3474784

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline (CID 60936185) is N-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline is CC(Nc1cccc(-c2nccs2)c1)C1CCCN(C)C1.
What is the InChIKey of N-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline?
The InChIKey is BISWOEWFSHAYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-13(15-6-4-9-20(2)12-15)19-16-7-3-5-14(11-16)17-18-8-10-21-17/h3,5,7-8,10-11,13,15,19H,4,6,9,12H2,1-2H3.
What are the key properties of N-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline?
N-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline has a molecular weight of 301.46 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 60936185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).