4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide

C11H18N4OS — CID 63280777

IUPAC4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide
SMILESCc1ncsc1CNC1CCN(C(N)=O)CC1
InChIInChI=1S/C11H18N4OS/c1-8-10(17-7-14-8)6-13-9-2-4-15(5-3-9)11(12)16/h7,9,13H,2-6H2,1H3,(H2,12,16)
InChIKeyCMLXKPNUUBPLML-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.08
Rot. Bonds3

About 4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide

4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide (PubChem CID 63280777) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide
PubChem CID63280777
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide
SMILESCc1ncsc1CNC1CCN(C(N)=O)CC1
InChIInChI=1S/C11H18N4OS/c1-8-10(17-7-14-8)6-13-9-2-4-15(5-3-9)11(12)16/h7,9,13H,2-6H2,1H3,(H2,12,16)
InChIKeyCMLXKPNUUBPLML-UHFFFAOYSA-N
XLogP1.08
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide?
The IUPAC name of 4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide (CID 63280777) is 4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide is Cc1ncsc1CNC1CCN(C(N)=O)CC1.
What is the InChIKey of 4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide?
The InChIKey is CMLXKPNUUBPLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-8-10(17-7-14-8)6-13-9-2-4-15(5-3-9)11(12)16/h7,9,13H,2-6H2,1H3,(H2,12,16).
What are the key properties of 4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide?
4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide is sourced from PubChem (CID 63280777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).