2-N-(1-benzyl-3-methylpiperidin-4-yl)-1,3-thiazole-2,5-diamine

C16H22N4S — CID 130855413

IUPAC2-N-(1-benzyl-3-methylpiperidin-4-yl)-1,3-thiazole-2,5-diamine
SMILESCC1CN(Cc2ccccc2)CCC1Nc1ncc(N)s1
InChIInChI=1S/C16H22N4S/c1-12-10-20(11-13-5-3-2-4-6-13)8-7-14(12)19-16-18-9-15(17)21-16/h2-6,9,12,14H,7-8,10-11,17H2,1H3,(H,18,19)
InChIKeyQBNAADHDFAZMSU-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.05
Rot. Bonds4

About 2-N-(1-benzyl-3-methylpiperidin-4-yl)-1,3-thiazole-2,5-diamine

2-N-(1-benzyl-3-methylpiperidin-4-yl)-1,3-thiazole-2,5-diamine (PubChem CID 130855413) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 2-N-(1-benzyl-3-methylpiperidin-4-yl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-benzyl-3-methylpiperidin-4-yl)-1,3-thiazole-2,5-diamine
PubChem CID130855413
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name2-N-(1-benzyl-3-methylpiperidin-4-yl)-1,3-thiazole-2,5-diamine
SMILESCC1CN(Cc2ccccc2)CCC1Nc1ncc(N)s1
InChIInChI=1S/C16H22N4S/c1-12-10-20(11-13-5-3-2-4-6-13)8-7-14(12)19-16-18-9-15(17)21-16/h2-6,9,12,14H,7-8,10-11,17H2,1H3,(H,18,19)
InChIKeyQBNAADHDFAZMSU-UHFFFAOYSA-N
XLogP3.05
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzyl-3-methylpiperidin-4-yl)pyridin-2-amine
CID 130893109
2-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-sulfonamide
CID 133473240
N-(1-benzyl-3-methylpiperidin-4-yl)-2-chloropyrimidin-4-amine
CID 130891534
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
N-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide
CID 68964157
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
(1-benzyl-3-methylpiperidin-4-yl)methanol
CID 130927897
N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133473212
N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide
CID 136512736
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine
CID 86799905
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzyl-3-methylpiperidin-4-yl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(1-benzyl-3-methylpiperidin-4-yl)-1,3-thiazole-2,5-diamine (CID 130855413) is 2-N-(1-benzyl-3-methylpiperidin-4-yl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(1-benzyl-3-methylpiperidin-4-yl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(1-benzyl-3-methylpiperidin-4-yl)-1,3-thiazole-2,5-diamine is CC1CN(Cc2ccccc2)CCC1Nc1ncc(N)s1.
What is the InChIKey of 2-N-(1-benzyl-3-methylpiperidin-4-yl)-1,3-thiazole-2,5-diamine?
The InChIKey is QBNAADHDFAZMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-12-10-20(11-13-5-3-2-4-6-13)8-7-14(12)19-16-18-9-15(17)21-16/h2-6,9,12,14H,7-8,10-11,17H2,1H3,(H,18,19).
What are the key properties of 2-N-(1-benzyl-3-methylpiperidin-4-yl)-1,3-thiazole-2,5-diamine?
2-N-(1-benzyl-3-methylpiperidin-4-yl)-1,3-thiazole-2,5-diamine has a molecular weight of 302.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzyl-3-methylpiperidin-4-yl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 130855413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).