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

C12H20N6O2S — CID 116670116

IUPAC4-amino-N-(1-amino-1-oxopropan-2-yl)-2-(4-aminopiperidin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1sc(N2CCC(N)CC2)nc1N)C(N)=O
InChIInChI=1S/C12H20N6O2S/c1-6(10(15)19)16-11(20)8-9(14)17-12(21-8)18-4-2-7(13)3-5-18/h6-7H,2-5,13-14H2,1H3,(H2,15,19)(H,16,20)
InChIKeyGYZIYBJFKQFZLR-UHFFFAOYSA-N
MW312.40 g/mol
LogP-0.74
Rot. Bonds4

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

4-amino-N-(1-amino-1-oxopropan-2-yl)-2-(4-aminopiperidin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116670116) has the molecular formula C12H20N6O2S and a molecular weight of 312.40 g/mol. Its IUPAC name is 4-amino-N-(1-amino-1-oxopropan-2-yl)-2-(4-aminopiperidin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-amino-1-oxopropan-2-yl)-2-(4-aminopiperidin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID116670116
Molecular FormulaC12H20N6O2S
Molecular Weight312.40 g/mol
Exact Mass312.14
IUPAC Name4-amino-N-(1-amino-1-oxopropan-2-yl)-2-(4-aminopiperidin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1sc(N2CCC(N)CC2)nc1N)C(N)=O
InChIInChI=1S/C12H20N6O2S/c1-6(10(15)19)16-11(20)8-9(14)17-12(21-8)18-4-2-7(13)3-5-18/h6-7H,2-5,13-14H2,1H3,(H2,15,19)(H,16,20)
InChIKeyGYZIYBJFKQFZLR-UHFFFAOYSA-N
XLogP-0.74
TPSA140.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N,N,4-trimethyl-2-[(1-piperidinylacetyl)amino]-1,3-thiazole-5-carboxamide
CID 6470491
Thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione, 4,6-dimethyl-2-(propylamino)-
CID 208275
Thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione, 4,6-dimethyl-2-(ethylamino)-
CID 208277
Thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione, 2-(butylamino)-4,6-dimethyl-
CID 208279
2-(piperidin-1-yl)-6H,7H-(1,3)thiazolo(4,5-d)pyrimidin-7-one
CID 135572403
2-Amino-6-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-methyl-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione
CID 71474656
1-(7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-(propan-2-yl)piperidine-4-carboxamide
CID 135657672
N-cyclopropyl-1-(7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl)piperidine-4-carboxamide
CID 135657673
N-methyl-1-(7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl)piperidine-4-carboxamide
CID 135657676
5-Propylsulfanyl-4-thia-1,6,8-triazatricyclo[8.4.0.03,7]tetradeca-3(7),5-diene-2,9-dione
CID 142739049
1-{6-[(Cyclohexylcarbamoyl)methyl]-7-oxo-6H,7H-[1,3]thiazolo[4,5-D]pyrimidin-2-YL}-N-methylpiperidine-3-carboxamide
CID 46391177
1-{6-[(Cyclopentylcarbamoyl)methyl]-7-oxo-6H,7H-[1,3]thiazolo[4,5-D]pyrimidin-2-YL}-N-methylpiperidine-3-carboxamide
CID 46391180

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-amino-1-oxopropan-2-yl)-2-(4-aminopiperidin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-amino-1-oxopropan-2-yl)-2-(4-aminopiperidin-1-yl)-1,3-thiazole-5-carboxamide (CID 116670116) is 4-amino-N-(1-amino-1-oxopropan-2-yl)-2-(4-aminopiperidin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-amino-1-oxopropan-2-yl)-2-(4-aminopiperidin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-amino-1-oxopropan-2-yl)-2-(4-aminopiperidin-1-yl)-1,3-thiazole-5-carboxamide is CC(NC(=O)c1sc(N2CCC(N)CC2)nc1N)C(N)=O.
What is the InChIKey of 4-amino-N-(1-amino-1-oxopropan-2-yl)-2-(4-aminopiperidin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is GYZIYBJFKQFZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2S/c1-6(10(15)19)16-11(20)8-9(14)17-12(21-8)18-4-2-7(13)3-5-18/h6-7H,2-5,13-14H2,1H3,(H2,15,19)(H,16,20).
What are the key properties of 4-amino-N-(1-amino-1-oxopropan-2-yl)-2-(4-aminopiperidin-1-yl)-1,3-thiazole-5-carboxamide?
4-amino-N-(1-amino-1-oxopropan-2-yl)-2-(4-aminopiperidin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 312.40 g/mol, XLogP of -0.74, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-amino-1-oxopropan-2-yl)-2-(4-aminopiperidin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116670116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).