methyl 3-amino-5-[(1,3-dimethylpiperidin-4-yl)amino]-1,2-thiazole-4-carboxylate

C12H20N4O2S — CID 103384590

IUPACmethyl 3-amino-5-[(1,3-dimethylpiperidin-4-yl)amino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1NC1CCN(C)CC1C
InChIInChI=1S/C12H20N4O2S/c1-7-6-16(2)5-4-8(7)14-11-9(12(17)18-3)10(13)15-19-11/h7-8,14H,4-6H2,1-3H3,(H2,13,15)
InChIKeyYVQSQTPVQRMDFK-UHFFFAOYSA-N
MW284.39 g/mol
LogP1.26
Rot. Bonds3

About methyl 3-amino-5-[(1,3-dimethylpiperidin-4-yl)amino]-1,2-thiazole-4-carboxylate

methyl 3-amino-5-[(1,3-dimethylpiperidin-4-yl)amino]-1,2-thiazole-4-carboxylate (PubChem CID 103384590) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is methyl 3-amino-5-[(1,3-dimethylpiperidin-4-yl)amino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[(1,3-dimethylpiperidin-4-yl)amino]-1,2-thiazole-4-carboxylate
PubChem CID103384590
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Namemethyl 3-amino-5-[(1,3-dimethylpiperidin-4-yl)amino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1NC1CCN(C)CC1C
InChIInChI=1S/C12H20N4O2S/c1-7-6-16(2)5-4-8(7)14-11-9(12(17)18-3)10(13)15-19-11/h7-8,14H,4-6H2,1-3H3,(H2,13,15)
InChIKeyYVQSQTPVQRMDFK-UHFFFAOYSA-N
XLogP1.26
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate
CID 103378458
5-N-(1,3-dimethylpiperidin-4-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103365712
methyl 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate
CID 103378414
3-amino-N-cyclopropyl-5-[(2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide
CID 103380188
3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxamide
CID 103378455
methyl 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carboxylate
CID 103383179
methyl 6-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carboxylate
CID 114504550
methyl 3-amino-5-(2-cyclohexylethylamino)-1,2-thiazole-4-carboxylate
CID 103383128
3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103379241
methyl 3-amino-5-(2-methylpyrrolidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103380950
methyl 3-amino-5-(2-pyrrolidin-1-ylpropylamino)-1,2-thiazole-4-carboxylate
CID 103383598
ethyl 3-amino-2-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-4-carboxylate
CID 114505844

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[(1,3-dimethylpiperidin-4-yl)amino]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-[(1,3-dimethylpiperidin-4-yl)amino]-1,2-thiazole-4-carboxylate (CID 103384590) is methyl 3-amino-5-[(1,3-dimethylpiperidin-4-yl)amino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[(1,3-dimethylpiperidin-4-yl)amino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-[(1,3-dimethylpiperidin-4-yl)amino]-1,2-thiazole-4-carboxylate is COC(=O)c1c(N)nsc1NC1CCN(C)CC1C.
What is the InChIKey of methyl 3-amino-5-[(1,3-dimethylpiperidin-4-yl)amino]-1,2-thiazole-4-carboxylate?
The InChIKey is YVQSQTPVQRMDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-7-6-16(2)5-4-8(7)14-11-9(12(17)18-3)10(13)15-19-11/h7-8,14H,4-6H2,1-3H3,(H2,13,15).
What are the key properties of methyl 3-amino-5-[(1,3-dimethylpiperidin-4-yl)amino]-1,2-thiazole-4-carboxylate?
methyl 3-amino-5-[(1,3-dimethylpiperidin-4-yl)amino]-1,2-thiazole-4-carboxylate has a molecular weight of 284.39 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[(1,3-dimethylpiperidin-4-yl)amino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103384590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).