3-amino-5-(4-methyl-3-oxopiperazin-1-yl)-1,2-thiazole-4-carbonitrile

C9H11N5OS — CID 103382124

IUPAC3-amino-5-(4-methyl-3-oxopiperazin-1-yl)-1,2-thiazole-4-carbonitrile
SMILESCN1CCN(c2snc(N)c2C#N)CC1=O
InChIInChI=1S/C9H11N5OS/c1-13-2-3-14(5-7(13)15)9-6(4-10)8(11)12-16-9/h2-3,5H2,1H3,(H2,11,12)
InChIKeyRRZMFXDDTPJBAX-UHFFFAOYSA-N
MW237.29 g/mol
LogP-0.12
Rot. Bonds1

About 3-amino-5-(4-methyl-3-oxopiperazin-1-yl)-1,2-thiazole-4-carbonitrile

3-amino-5-(4-methyl-3-oxopiperazin-1-yl)-1,2-thiazole-4-carbonitrile (PubChem CID 103382124) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 3-amino-5-(4-methyl-3-oxopiperazin-1-yl)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(4-methyl-3-oxopiperazin-1-yl)-1,2-thiazole-4-carbonitrile
PubChem CID103382124
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name3-amino-5-(4-methyl-3-oxopiperazin-1-yl)-1,2-thiazole-4-carbonitrile
SMILESCN1CCN(c2snc(N)c2C#N)CC1=O
InChIInChI=1S/C9H11N5OS/c1-13-2-3-14(5-7(13)15)9-6(4-10)8(11)12-16-9/h2-3,5H2,1H3,(H2,11,12)
InChIKeyRRZMFXDDTPJBAX-UHFFFAOYSA-N
XLogP-0.12
TPSA86.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-[4-(4-chlorophenyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile
CID 103380964
4-(3-amino-4-methoxy-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103384693
3-amino-5-(3,5-dimethylpiperidin-1-yl)-1,2-thiazole-4-carbonitrile
CID 103381020
3-amino-5-(4-cyclopentylpiperazin-1-yl)-1,2-thiazole-4-carbonitrile
CID 103381604
4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103365815
3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile
CID 103382060
4-(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103365809
4-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103349871
3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile
CID 103382102
4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-1-methyl-1,4-diazepan-2-one
CID 103384690
5-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-3-methyl-1,2-thiazole-4-carbonitrile
CID 136542924
3-(4-methyl-3-oxopiperazin-1-yl)pyridazine-4-carbonitrile
CID 80509734

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-methyl-3-oxopiperazin-1-yl)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-(4-methyl-3-oxopiperazin-1-yl)-1,2-thiazole-4-carbonitrile (CID 103382124) is 3-amino-5-(4-methyl-3-oxopiperazin-1-yl)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-(4-methyl-3-oxopiperazin-1-yl)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-(4-methyl-3-oxopiperazin-1-yl)-1,2-thiazole-4-carbonitrile is CN1CCN(c2snc(N)c2C#N)CC1=O.
What is the InChIKey of 3-amino-5-(4-methyl-3-oxopiperazin-1-yl)-1,2-thiazole-4-carbonitrile?
The InChIKey is RRZMFXDDTPJBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-13-2-3-14(5-7(13)15)9-6(4-10)8(11)12-16-9/h2-3,5H2,1H3,(H2,11,12).
What are the key properties of 3-amino-5-(4-methyl-3-oxopiperazin-1-yl)-1,2-thiazole-4-carbonitrile?
3-amino-5-(4-methyl-3-oxopiperazin-1-yl)-1,2-thiazole-4-carbonitrile has a molecular weight of 237.29 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-methyl-3-oxopiperazin-1-yl)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103382124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).