1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C16H21N5OS — CID 120898685

IUPAC1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(Cc3cnc(N)s3)CC2)nc1
InChIInChI=1S/C16H21N5OS/c1-11-2-3-14(18-8-11)20-15(22)12-4-6-21(7-5-12)10-13-9-19-16(17)23-13/h2-3,8-9,12H,4-7,10H2,1H3,(H2,17,19)(H,18,20,22)
InChIKeySZOKWGPAWSZCCZ-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.28
Rot. Bonds4

About 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 120898685) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID120898685
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(Cc3cnc(N)s3)CC2)nc1
InChIInChI=1S/C16H21N5OS/c1-11-2-3-14(18-8-11)20-15(22)12-4-6-21(7-5-12)10-13-9-19-16(17)23-13/h2-3,8-9,12H,4-7,10H2,1H3,(H2,17,19)(H,18,20,22)
InChIKeySZOKWGPAWSZCCZ-UHFFFAOYSA-N
XLogP2.28
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 120898685) is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(Cc3cnc(N)s3)CC2)nc1.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is SZOKWGPAWSZCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-11-2-3-14(18-8-11)20-15(22)12-4-6-21(7-5-12)10-13-9-19-16(17)23-13/h2-3,8-9,12H,4-7,10H2,1H3,(H2,17,19)(H,18,20,22).
What are the key properties of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 331.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 120898685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).