4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide

C14H25N5OS — CID 116665544

IUPAC4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
SMILESCCC(C)CNC(=O)c1sc(N2CCC(N)CC2)nc1N
InChIInChI=1S/C14H25N5OS/c1-3-9(2)8-17-13(20)11-12(16)18-14(21-11)19-6-4-10(15)5-7-19/h9-10H,3-8,15-16H2,1-2H3,(H,17,20)
InChIKeyGDPIOKPNBSKJIN-UHFFFAOYSA-N
MW311.46 g/mol
LogP1.43
Rot. Bonds5

About 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide

4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide (PubChem CID 116665544) has the molecular formula C14H25N5OS and a molecular weight of 311.46 g/mol. Its IUPAC name is 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
PubChem CID116665544
Molecular FormulaC14H25N5OS
Molecular Weight311.46 g/mol
Exact Mass311.18
IUPAC Name4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
SMILESCCC(C)CNC(=O)c1sc(N2CCC(N)CC2)nc1N
InChIInChI=1S/C14H25N5OS/c1-3-9(2)8-17-13(20)11-12(16)18-14(21-11)19-6-4-10(15)5-7-19/h9-10H,3-8,15-16H2,1-2H3,(H,17,20)
InChIKeyGDPIOKPNBSKJIN-UHFFFAOYSA-N
XLogP1.43
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.46
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide (CID 116665544) is 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide is CCC(C)CNC(=O)c1sc(N2CCC(N)CC2)nc1N.
What is the InChIKey of 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide?
The InChIKey is GDPIOKPNBSKJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5OS/c1-3-9(2)8-17-13(20)11-12(16)18-14(21-11)19-6-4-10(15)5-7-19/h9-10H,3-8,15-16H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide has a molecular weight of 311.46 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116665544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).