2-(piperidin-1-ylmethyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole

C16H28N4S — CID 91365250

IUPAC2-(piperidin-1-ylmethyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole
SMILESCC(C)N1CCN(c2cnc(CN3CCCCC3)s2)CC1
InChIInChI=1S/C16H28N4S/c1-14(2)19-8-10-20(11-9-19)16-12-17-15(21-16)13-18-6-4-3-5-7-18/h12,14H,3-11,13H2,1-2H3
InChIKeyQSWSFGXCERVAAZ-UHFFFAOYSA-N
MW308.49 g/mol
LogP2.66
Rot. Bonds4

About 2-(piperidin-1-ylmethyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole

2-(piperidin-1-ylmethyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole (PubChem CID 91365250) has the molecular formula C16H28N4S and a molecular weight of 308.49 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole
PubChem CID91365250
Molecular FormulaC16H28N4S
Molecular Weight308.49 g/mol
Exact Mass308.20
IUPAC Name2-(piperidin-1-ylmethyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole
SMILESCC(C)N1CCN(c2cnc(CN3CCCCC3)s2)CC1
InChIInChI=1S/C16H28N4S/c1-14(2)19-8-10-20(11-9-19)16-12-17-15(21-16)13-18-6-4-3-5-7-18/h12,14H,3-11,13H2,1-2H3
InChIKeyQSWSFGXCERVAAZ-UHFFFAOYSA-N
XLogP2.66
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4,4-Difluoropiperidin-1-yl)-2-methyl-1,3-thiazole;ethane
CID 142825973
5-(4,4-Difluoropiperidin-1-yl)-2-methyl-1,3-thiazole
CID 142825974
5-(3,3-Difluoropiperidin-1-yl)-2-methyl-1,3-thiazole
CID 162549395
N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 45238050
5-Piperidin-1-yl-1,3-thiazole
CID 18461130
2-Methyl-5-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 20312954
5-Piperidin-1-yl-2-propan-2-yl-1,3-thiazole
CID 20811489
5-(4-Methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole
CID 23571116
1-(5-Tributylstannanylthiazol-2-ylmethyl)-piperidine
CID 58266640
2-Tert-butyl-5-piperidin-1-yl-1,3-thiazole
CID 59019253
2-(1-Propan-2-ylpiperidin-2-yl)-1,3-thiazole
CID 67986575
2-Methyl-5-piperidin-1-yl-1,3-thiazole
CID 68186461

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 2-(piperidin-1-ylmethyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole (CID 91365250) is 2-(piperidin-1-ylmethyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole is CC(C)N1CCN(c2cnc(CN3CCCCC3)s2)CC1.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is QSWSFGXCERVAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S/c1-14(2)19-8-10-20(11-9-19)16-12-17-15(21-16)13-18-6-4-3-5-7-18/h12,14H,3-11,13H2,1-2H3.
What are the key properties of 2-(piperidin-1-ylmethyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole?
2-(piperidin-1-ylmethyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 308.49 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 91365250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).