4-amino-2-(4-aminopiperidin-1-yl)-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide

C13H24N6OS — CID 116662970

IUPAC4-amino-2-(4-aminopiperidin-1-yl)-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide
SMILESCNCCCNC(=O)c1sc(N2CCC(N)CC2)nc1N
InChIInChI=1S/C13H24N6OS/c1-16-5-2-6-17-12(20)10-11(15)18-13(21-10)19-7-3-9(14)4-8-19/h9,16H,2-8,14-15H2,1H3,(H,17,20)
InChIKeyGSLFDYKCYHIBSR-UHFFFAOYSA-N
MW312.44 g/mol
LogP-0.01
Rot. Bonds6

About 4-amino-2-(4-aminopiperidin-1-yl)-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide

4-amino-2-(4-aminopiperidin-1-yl)-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide (PubChem CID 116662970) has the molecular formula C13H24N6OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-amino-2-(4-aminopiperidin-1-yl)-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(4-aminopiperidin-1-yl)-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide
PubChem CID116662970
Molecular FormulaC13H24N6OS
Molecular Weight312.44 g/mol
Exact Mass312.17
IUPAC Name4-amino-2-(4-aminopiperidin-1-yl)-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide
SMILESCNCCCNC(=O)c1sc(N2CCC(N)CC2)nc1N
InChIInChI=1S/C13H24N6OS/c1-16-5-2-6-17-12(20)10-11(15)18-13(21-10)19-7-3-9(14)4-8-19/h9,16H,2-8,14-15H2,1H3,(H,17,20)
InChIKeyGSLFDYKCYHIBSR-UHFFFAOYSA-N
XLogP-0.01
TPSA109.30 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-(4-aminopiperidin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667664
4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 116665544
4-amino-2-(3-aminopyrrolidin-1-yl)-N-hex-5-ynyl-1,3-thiazole-5-carboxamide
CID 106215809
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-carboxamide
CID 116673365
4-amino-N-(3-hydroxypropyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116665451
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-but-2-ynyl-1,3-thiazole-5-carboxamide
CID 116673068
4-amino-N-(5-amino-5-oxopentyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 106242065
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide
CID 116669705
4-amino-N-[4-(dimethylamino)butyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116665012

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-aminopiperidin-1-yl)-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(4-aminopiperidin-1-yl)-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide (CID 116662970) is 4-amino-2-(4-aminopiperidin-1-yl)-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(4-aminopiperidin-1-yl)-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(4-aminopiperidin-1-yl)-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide is CNCCCNC(=O)c1sc(N2CCC(N)CC2)nc1N.
What is the InChIKey of 4-amino-2-(4-aminopiperidin-1-yl)-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GSLFDYKCYHIBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6OS/c1-16-5-2-6-17-12(20)10-11(15)18-13(21-10)19-7-3-9(14)4-8-19/h9,16H,2-8,14-15H2,1H3,(H,17,20).
What are the key properties of 4-amino-2-(4-aminopiperidin-1-yl)-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(4-aminopiperidin-1-yl)-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 312.44 g/mol, XLogP of -0.01, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-aminopiperidin-1-yl)-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116662970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).