3-amino-5-(4-tert-butylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide

C14H24N4OS — CID 103379615

IUPAC3-amino-5-(4-tert-butylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H24N4OS/c1-14(2,3)9-5-7-18(8-6-9)13-10(12(19)16-4)11(15)17-20-13/h9H,5-8H2,1-4H3,(H2,15,17)(H,16,19)
InChIKeySNQQYYHLGUWSOT-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.35
Rot. Bonds2

About 3-amino-5-(4-tert-butylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide

3-amino-5-(4-tert-butylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103379615) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-amino-5-(4-tert-butylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(4-tert-butylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103379615
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name3-amino-5-(4-tert-butylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H24N4OS/c1-14(2,3)9-5-7-18(8-6-9)13-10(12(19)16-4)11(15)17-20-13/h9H,5-8H2,1-4H3,(H2,15,17)(H,16,19)
InChIKeySNQQYYHLGUWSOT-UHFFFAOYSA-N
XLogP2.35
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-tert-butylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(4-tert-butylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide (CID 103379615) is 3-amino-5-(4-tert-butylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(4-tert-butylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(4-tert-butylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 3-amino-5-(4-tert-butylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is SNQQYYHLGUWSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-14(2,3)9-5-7-18(8-6-9)13-10(12(19)16-4)11(15)17-20-13/h9H,5-8H2,1-4H3,(H2,15,17)(H,16,19).
What are the key properties of 3-amino-5-(4-tert-butylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-(4-tert-butylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-tert-butylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103379615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).