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

C13H23N5OS — CID 116667664

IUPAC4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)CNC(=O)c1sc(N2CCC(N)CC2)nc1N
InChIInChI=1S/C13H23N5OS/c1-8(2)7-16-12(19)10-11(15)17-13(20-10)18-5-3-9(14)4-6-18/h8-9H,3-7,14-15H2,1-2H3,(H,16,19)
InChIKeyDMAQWDCXTRTELS-UHFFFAOYSA-N
MW297.43 g/mol
LogP1.04
Rot. Bonds4

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

4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 116667664) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID116667664
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC Name4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)CNC(=O)c1sc(N2CCC(N)CC2)nc1N
InChIInChI=1S/C13H23N5OS/c1-8(2)7-16-12(19)10-11(15)17-13(20-10)18-5-3-9(14)4-6-18/h8-9H,3-7,14-15H2,1-2H3,(H,16,19)
InChIKeyDMAQWDCXTRTELS-UHFFFAOYSA-N
XLogP1.04
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 116665544
4-amino-2-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667677
4-amino-N-(2-aminoethyl)-2-(4-aminopiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 116662899
4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 116667610
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2-ethoxypropyl)-1,3-thiazole-5-carboxamide
CID 116672973
4-amino-2-(4-aminopiperidin-1-yl)-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide
CID 116662970
4-amino-N-(1-amino-1-oxopropan-2-yl)-2-(4-aminopiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 116670116
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2-hydroxy-3-methoxypropyl)-1,3-thiazole-5-carboxamide
CID 116666789
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-carboxamide
CID 116673365
4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672281
4-amino-2-(3-aminopyrrolidin-1-yl)-N-but-2-ynyl-1,3-thiazole-5-carboxamide
CID 116673068
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide
CID 116669705

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 116667664) is 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is CC(C)CNC(=O)c1sc(N2CCC(N)CC2)nc1N.
What is the InChIKey of 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DMAQWDCXTRTELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-8(2)7-16-12(19)10-11(15)17-13(20-10)18-5-3-9(14)4-6-18/h8-9H,3-7,14-15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 297.43 g/mol, XLogP of 1.04, 4 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-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116667664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).