4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)-1,3-thiazole-5-carboxamide

C12H22N6OS — CID 116666452

IUPAC4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NCC2CN(C)CCN2C)s1
InChIInChI=1S/C12H22N6OS/c1-14-12-16-10(13)9(20-12)11(19)15-6-8-7-17(2)4-5-18(8)3/h8H,4-7,13H2,1-3H3,(H,14,16)(H,15,19)
InChIKeyVKYJMPRBDDXGBH-UHFFFAOYSA-N
MW298.42 g/mol
LogP-0.26
Rot. Bonds4

About 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)-1,3-thiazole-5-carboxamide

4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116666452) has the molecular formula C12H22N6OS and a molecular weight of 298.42 g/mol. Its IUPAC name is 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
PubChem CID116666452
Molecular FormulaC12H22N6OS
Molecular Weight298.42 g/mol
Exact Mass298.16
IUPAC Name4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NCC2CN(C)CCN2C)s1
InChIInChI=1S/C12H22N6OS/c1-14-12-16-10(13)9(20-12)11(19)15-6-8-7-17(2)4-5-18(8)3/h8H,4-7,13H2,1-3H3,(H,14,16)(H,15,19)
InChIKeyVKYJMPRBDDXGBH-UHFFFAOYSA-N
XLogP-0.26
TPSA86.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 116671150
4-amino-N-methyl-2-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671276
4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116667308
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-amino-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116670971
4-amino-2-(methylamino)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 116663035
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63884571
3-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]thiophene-2-carboxamide
CID 129486680
4-amino-2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazole-5-carboxamide
CID 116666781
4-amino-N-(3-hydroxypropyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116665439
4-amino-2-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116668738
4-amino-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazole-5-carboxamide
CID 102909085
4-amino-N-(5-amino-5-oxopentyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106242070

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)-1,3-thiazole-5-carboxamide (CID 116666452) is 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)NCC2CN(C)CCN2C)s1.
What is the InChIKey of 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is VKYJMPRBDDXGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6OS/c1-14-12-16-10(13)9(20-12)11(19)15-6-8-7-17(2)4-5-18(8)3/h8H,4-7,13H2,1-3H3,(H,14,16)(H,15,19).
What are the key properties of 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 298.42 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).