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

C9H13N5S — CID 15741044

IUPAC2-amino-4-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile
SMILESCN1CCN(c2nc(N)sc2C#N)CC1
InChIInChI=1S/C9H13N5S/c1-13-2-4-14(5-3-13)8-7(6-10)15-9(11)12-8/h2-5H2,1H3,(H2,11,12)
InChIKeyDUGVOPGXSNWYTB-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.35
Rot. Bonds1

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

2-amino-4-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile (PubChem CID 15741044) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-amino-4-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile
PubChem CID15741044
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC Name2-amino-4-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile
SMILESCN1CCN(c2nc(N)sc2C#N)CC1
InChIInChI=1S/C9H13N5S/c1-13-2-4-14(5-3-13)8-7(6-10)15-9(11)12-8/h2-5H2,1H3,(H2,11,12)
InChIKeyDUGVOPGXSNWYTB-UHFFFAOYSA-N
XLogP0.35
TPSA69.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarbonitrile
CID 103419314
methyl 4-amino-5-cyano-2-(4-methyl-1,4-diazepan-1-yl)thiophene-3-carboxylate
CID 103420612
5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
CID 102544875
4-chloro-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25133967
2-amino-4-cyclohepta-1,3,5-trien-1-yl-1,3-thiazole-5-carbonitrile
CID 143554150
2-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carbonitrile
CID 171095844
3-amino-5-[(4-methylpiperazin-1-yl)amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103505866
4-amino-2-morpholin-4-yl-1,3-thiazole-5-carbonitrile
CID 21319839
6-ethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323837
4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437863
2-methyl-5-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine
CID 20729790
2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107543268

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-amino-4-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile (CID 15741044) is 2-amino-4-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-amino-4-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile is CN1CCN(c2nc(N)sc2C#N)CC1.
What is the InChIKey of 2-amino-4-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile?
The InChIKey is DUGVOPGXSNWYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-13-2-4-14(5-3-13)8-7(6-10)15-9(11)12-8/h2-5H2,1H3,(H2,11,12).
What are the key properties of 2-amino-4-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile?
2-amino-4-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile has a molecular weight of 223.30 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 15741044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).