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

C13H23N5O2S — CID 116668074

IUPAC4-amino-N-(1-methoxypropan-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCOCC(C)NC(=O)c1sc(N2CCN(C)CC2)nc1N
InChIInChI=1S/C13H23N5O2S/c1-9(8-20-3)15-12(19)10-11(14)16-13(21-10)18-6-4-17(2)5-7-18/h9H,4-8,14H2,1-3H3,(H,15,19)
InChIKeyGPPVGSQOBCCMJJ-UHFFFAOYSA-N
MW313.43 g/mol
LogP0.24
Rot. Bonds5

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

4-amino-N-(1-methoxypropan-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116668074) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-amino-N-(1-methoxypropan-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-methoxypropan-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID116668074
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC Name4-amino-N-(1-methoxypropan-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCOCC(C)NC(=O)c1sc(N2CCN(C)CC2)nc1N
InChIInChI=1S/C13H23N5O2S/c1-9(8-20-3)15-12(19)10-11(14)16-13(21-10)18-6-4-17(2)5-7-18/h9H,4-8,14H2,1-3H3,(H,15,19)
InChIKeyGPPVGSQOBCCMJJ-UHFFFAOYSA-N
XLogP0.24
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-(1-ethoxypropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116664707
4-amino-2-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667677
4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116668009
4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116667638
4-amino-N-(1-cyclopropylpropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116666580
4-amino-N-(4-hydroxypentan-2-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116672605
4-amino-N-(2-methylbut-3-yn-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 116666626
4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 116667610
4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 106358505
4-amino-N-(1-ethylsulfanylpropan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116673565
4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116673372
methyl 4-amino-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 46507857

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methoxypropan-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-methoxypropan-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (CID 116668074) is 4-amino-N-(1-methoxypropan-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-methoxypropan-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-methoxypropan-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is COCC(C)NC(=O)c1sc(N2CCN(C)CC2)nc1N.
What is the InChIKey of 4-amino-N-(1-methoxypropan-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is GPPVGSQOBCCMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-9(8-20-3)15-12(19)10-11(14)16-13(21-10)18-6-4-17(2)5-7-18/h9H,4-8,14H2,1-3H3,(H,15,19).
What are the key properties of 4-amino-N-(1-methoxypropan-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
4-amino-N-(1-methoxypropan-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methoxypropan-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).