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

C11H14N4O2S2 — CID 103380339

IUPACmethyl 3-amino-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1N(C)Cc1csc(C)n1
InChIInChI=1S/C11H14N4O2S2/c1-6-13-7(5-18-6)4-15(2)10-8(11(16)17-3)9(12)14-19-10/h5H,4H2,1-3H3,(H2,12,14)
InChIKeyGOOKCVXZMFUMMA-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.91
Rot. Bonds4

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

methyl 3-amino-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate (PubChem CID 103380339) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is methyl 3-amino-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate
PubChem CID103380339
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Namemethyl 3-amino-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1N(C)Cc1csc(C)n1
InChIInChI=1S/C11H14N4O2S2/c1-6-13-7(5-18-6)4-15(2)10-8(11(16)17-3)9(12)14-19-10/h5H,4H2,1-3H3,(H2,12,14)
InChIKeyGOOKCVXZMFUMMA-UHFFFAOYSA-N
XLogP1.91
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 3-amino-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate with MolForge

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Related Compounds

5-N-methyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103361356
methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate
CID 103379639
ethyl 3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103379481
methyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate
CID 103384743
3-amino-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103379722
methyl 3-amino-5-[methyl(oxan-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103381952
methyl 3-amino-5-[ethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate
CID 103381492
3-amino-N-cyclopropyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379718
3-amino-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,2-thiazole-4-carboxamide
CID 114140207
methyl 4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]benzoate
CID 86856106
methyl 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103380270
ethyl 3-amino-5-[(3-bromophenyl)methyl-methylamino]-1,2-thiazole-4-carboxylate
CID 103380476

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate (CID 103380339) is methyl 3-amino-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate is COC(=O)c1c(N)nsc1N(C)Cc1csc(C)n1.
What is the InChIKey of methyl 3-amino-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate?
The InChIKey is GOOKCVXZMFUMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c1-6-13-7(5-18-6)4-15(2)10-8(11(16)17-3)9(12)14-19-10/h5H,4H2,1-3H3,(H2,12,14).
What are the key properties of methyl 3-amino-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate?
methyl 3-amino-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate has a molecular weight of 298.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103380339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).