4-amino-2-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide

C13H23N5OS — CID 116667677

IUPAC4-amino-2-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)CNC(=O)c1sc(N2CCN(C)CC2)nc1N
InChIInChI=1S/C13H23N5OS/c1-9(2)8-15-12(19)10-11(14)16-13(20-10)18-6-4-17(3)5-7-18/h9H,4-8,14H2,1-3H3,(H,15,19)
InChIKeyONOPMKDQMZHFNM-UHFFFAOYSA-N
MW297.43 g/mol
LogP0.86
Rot. Bonds4

About 4-amino-2-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide

4-amino-2-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 116667677) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is 4-amino-2-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID116667677
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC Name4-amino-2-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)CNC(=O)c1sc(N2CCN(C)CC2)nc1N
InChIInChI=1S/C13H23N5OS/c1-9(2)8-15-12(19)10-11(14)16-13(20-10)18-6-4-17(3)5-7-18/h9H,4-8,14H2,1-3H3,(H,15,19)
InChIKeyONOPMKDQMZHFNM-UHFFFAOYSA-N
XLogP0.86
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667664
4-amino-N-(1-methoxypropan-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 116668074
4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672281
4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 116665544
4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116667638
4-amino-N-(2-methylbut-3-yn-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 116666626
4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116673372
4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116668009
4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116670811
4-amino-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 116667349
4-amino-N-(4-hydroxypentan-2-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116672605
4-amino-N-(2-amino-2-oxoethyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116667829

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 116667677) is 4-amino-2-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is CC(C)CNC(=O)c1sc(N2CCN(C)CC2)nc1N.
What is the InChIKey of 4-amino-2-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ONOPMKDQMZHFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-9(2)8-15-12(19)10-11(14)16-13(20-10)18-6-4-17(3)5-7-18/h9H,4-8,14H2,1-3H3,(H,15,19).
What are the key properties of 4-amino-2-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 297.43 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116667677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).