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

C13H23N5OS2 — CID 116672356

IUPAC4-amino-2-(4-aminopiperidin-1-yl)-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
SMILESCSCCN(C)C(=O)c1sc(N2CCC(N)CC2)nc1N
InChIInChI=1S/C13H23N5OS2/c1-17(7-8-20-2)12(19)10-11(15)16-13(21-10)18-5-3-9(14)4-6-18/h9H,3-8,14-15H2,1-2H3
InChIKeyYWKRWPCOGRADCX-UHFFFAOYSA-N
MW329.50 g/mol
LogP1.09
Rot. Bonds5

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

4-amino-2-(4-aminopiperidin-1-yl)-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116672356) has the molecular formula C13H23N5OS2 and a molecular weight of 329.50 g/mol. Its IUPAC name is 4-amino-2-(4-aminopiperidin-1-yl)-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(4-aminopiperidin-1-yl)-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
PubChem CID116672356
Molecular FormulaC13H23N5OS2
Molecular Weight329.50 g/mol
Exact Mass329.13
IUPAC Name4-amino-2-(4-aminopiperidin-1-yl)-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
SMILESCSCCN(C)C(=O)c1sc(N2CCC(N)CC2)nc1N
InChIInChI=1S/C13H23N5OS2/c1-17(7-8-20-2)12(19)10-11(15)16-13(21-10)18-5-3-9(14)4-6-18/h9H,3-8,14-15H2,1-2H3
InChIKeyYWKRWPCOGRADCX-UHFFFAOYSA-N
XLogP1.09
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.50
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclopropylmethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116670754
4-amino-2-(3-aminopyrrolidin-1-yl)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116672055
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2,2-difluoroethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116673716
4-amino-2-(3-aminopyrrolidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116670590
4-amino-N-(2-aminoethyl)-2-(4-aminopiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 116662899
4-amino-N-(2-methoxyethyl)-N-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116663288
4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667664
4-amino-N-butyl-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 116668307
4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 106918863
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-methylbutyl)-1,3-thiazole-5-carboxamide
CID 116665544
4-amino-N-(2-methoxyethyl)-N-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116663282

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-aminopiperidin-1-yl)-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(4-aminopiperidin-1-yl)-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide (CID 116672356) is 4-amino-2-(4-aminopiperidin-1-yl)-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(4-aminopiperidin-1-yl)-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(4-aminopiperidin-1-yl)-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide is CSCCN(C)C(=O)c1sc(N2CCC(N)CC2)nc1N.
What is the InChIKey of 4-amino-2-(4-aminopiperidin-1-yl)-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YWKRWPCOGRADCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS2/c1-17(7-8-20-2)12(19)10-11(15)16-13(21-10)18-5-3-9(14)4-6-18/h9H,3-8,14-15H2,1-2H3.
What are the key properties of 4-amino-2-(4-aminopiperidin-1-yl)-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(4-aminopiperidin-1-yl)-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 329.50 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 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-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).