2-amino-N-(1-tert-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

C13H22N4OS — CID 62788760

IUPAC2-amino-N-(1-tert-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)c2csc(N)n2)CC1
InChIInChI=1S/C13H22N4OS/c1-13(2,3)17-6-4-9(5-7-17)15-11(18)10-8-19-12(14)16-10/h8-9H,4-7H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyMSMWJYWRXCOJLU-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.72
Rot. Bonds2

About 2-amino-N-(1-tert-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

2-amino-N-(1-tert-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 62788760) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-amino-N-(1-tert-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-tert-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID62788760
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name2-amino-N-(1-tert-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)c2csc(N)n2)CC1
InChIInChI=1S/C13H22N4OS/c1-13(2,3)17-6-4-9(5-7-17)15-11(18)10-8-19-12(14)16-10/h8-9H,4-7H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyMSMWJYWRXCOJLU-UHFFFAOYSA-N
XLogP1.72
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-tert-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(1-tert-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (CID 62788760) is 2-amino-N-(1-tert-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(1-tert-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(1-tert-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is CC(C)(C)N1CCC(NC(=O)c2csc(N)n2)CC1.
What is the InChIKey of 2-amino-N-(1-tert-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is MSMWJYWRXCOJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-13(2,3)17-6-4-9(5-7-17)15-11(18)10-8-19-12(14)16-10/h8-9H,4-7H2,1-3H3,(H2,14,16)(H,15,18).
What are the key properties of 2-amino-N-(1-tert-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
2-amino-N-(1-tert-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-tert-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62788760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).