3-amino-5-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1,2-thiazole-4-carbonitrile

C12H17N5OS — CID 103384118

IUPAC3-amino-5-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1NCCC(=O)N1CCCCC1
InChIInChI=1S/C12H17N5OS/c13-8-9-11(14)16-19-12(9)15-5-4-10(18)17-6-2-1-3-7-17/h15H,1-7H2,(H2,14,16)
InChIKeyLIVYSSMOWJBOQU-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.41
Rot. Bonds4

About 3-amino-5-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1,2-thiazole-4-carbonitrile

3-amino-5-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1,2-thiazole-4-carbonitrile (PubChem CID 103384118) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-amino-5-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1,2-thiazole-4-carbonitrile
PubChem CID103384118
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name3-amino-5-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1NCCC(=O)N1CCCCC1
InChIInChI=1S/C12H17N5OS/c13-8-9-11(14)16-19-12(9)15-5-4-10(18)17-6-2-1-3-7-17/h15H,1-7H2,(H2,14,16)
InChIKeyLIVYSSMOWJBOQU-UHFFFAOYSA-N
XLogP1.41
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carbonitrile
CID 103384090
3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103365194
3-chloro-5-[[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]-1,2-thiazole-4-carbonitrile
CID 133359530
3-[(5-amino-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 102768981
6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 112685210
2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103365033
6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile
CID 112692141
3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103365036
6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 115576194
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 112696077
1-pyrrolidin-1-yl-3-(1,2,4-thiadiazol-5-ylamino)propan-1-one
CID 115777368
4-acetyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzonitrile
CID 133466054

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1,2-thiazole-4-carbonitrile (CID 103384118) is 3-amino-5-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1,2-thiazole-4-carbonitrile is N#Cc1c(N)nsc1NCCC(=O)N1CCCCC1.
What is the InChIKey of 3-amino-5-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1,2-thiazole-4-carbonitrile?
The InChIKey is LIVYSSMOWJBOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c13-8-9-11(14)16-19-12(9)15-5-4-10(18)17-6-2-1-3-7-17/h15H,1-7H2,(H2,14,16).
What are the key properties of 3-amino-5-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1,2-thiazole-4-carbonitrile?
3-amino-5-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1,2-thiazole-4-carbonitrile has a molecular weight of 279.37 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103384118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).