N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide

C13H21N3OS — CID 63037909

IUPACN-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCC1CCCCN1CCCNC(=O)c1cscn1
InChIInChI=1S/C13H21N3OS/c1-11-5-2-3-7-16(11)8-4-6-14-13(17)12-9-18-10-15-12/h9-11H,2-8H2,1H3,(H,14,17)
InChIKeyZRXKQJPICCYYKY-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.14
Rot. Bonds5

About N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide

N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 63037909) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
PubChem CID63037909
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCC1CCCCN1CCCNC(=O)c1cscn1
InChIInChI=1S/C13H21N3OS/c1-11-5-2-3-7-16(11)8-4-6-14-13(17)12-9-18-10-15-12/h9-11H,2-8H2,1H3,(H,14,17)
InChIKeyZRXKQJPICCYYKY-UHFFFAOYSA-N
XLogP2.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 62794675
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide
CID 9472411
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide
CID 47140611
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 104740859
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63048000
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 43080560
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-1H-pyrazole-5-carboxamide
CID 95281410
2-ethyl-N-[4-[(2S)-2-methylpiperidin-1-yl]butyl]-1,3-oxazole-4-carboxamide
CID 97353226

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide (CID 63037909) is N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide is CC1CCCCN1CCCNC(=O)c1cscn1.
What is the InChIKey of N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZRXKQJPICCYYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-11-5-2-3-7-16(11)8-4-6-14-13(17)12-9-18-10-15-12/h9-11H,2-8H2,1H3,(H,14,17).
What are the key properties of N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63037909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).