methyl 2-amino-4-[bis(2-methylpropyl)amino]-1,3-thiazole-5-carboxylate

C13H23N3O2S — CID 28815553

IUPACmethyl 2-amino-4-[bis(2-methylpropyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N)nc1N(CC(C)C)CC(C)C
InChIInChI=1S/C13H23N3O2S/c1-8(2)6-16(7-9(3)4)11-10(12(17)18-5)19-13(14)15-11/h8-9H,6-7H2,1-5H3,(H2,14,15)
InChIKeyDHGDTWGBIZNSBY-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.63
Rot. Bonds6

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

methyl 2-amino-4-[bis(2-methylpropyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 28815553) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is methyl 2-amino-4-[bis(2-methylpropyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-[bis(2-methylpropyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID28815553
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Namemethyl 2-amino-4-[bis(2-methylpropyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N)nc1N(CC(C)C)CC(C)C
InChIInChI=1S/C13H23N3O2S/c1-8(2)6-16(7-9(3)4)11-10(12(17)18-5)19-13(14)15-11/h8-9H,6-7H2,1-5H3,(H2,14,15)
InChIKeyDHGDTWGBIZNSBY-UHFFFAOYSA-N
XLogP2.63
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-4-cyclopropyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxylate
CID 103420777
ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate
CID 28815592
methyl 5-amino-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylate
CID 114405986
methyl 2-amino-4-propanoyloxy-1,3-thiazole-5-carboxylate
CID 175245711
methyl 2-[bis(3-methylbutyl)amino]-4-chloro-1,3-thiazole-5-carboxylate
CID 107870637
5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate
CID 88820286
methyl 5-amino-6-[2-cyanoethyl(2-methylpropyl)amino]pyridine-2-carboxylate
CID 114406141
methyl 5-amino-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylate
CID 114090067
methyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 116674032
methyl 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carboxylate
CID 103379735
methyl 2-amino-4-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxylate
CID 94699550
methyl 4-chloro-2-(7-methyloctylamino)-1,3-thiazole-5-carboxylate
CID 107817531

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-[bis(2-methylpropyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-amino-4-[bis(2-methylpropyl)amino]-1,3-thiazole-5-carboxylate (CID 28815553) is methyl 2-amino-4-[bis(2-methylpropyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4-[bis(2-methylpropyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-amino-4-[bis(2-methylpropyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N)nc1N(CC(C)C)CC(C)C.
What is the InChIKey of methyl 2-amino-4-[bis(2-methylpropyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is DHGDTWGBIZNSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-8(2)6-16(7-9(3)4)11-10(12(17)18-5)19-13(14)15-11/h8-9H,6-7H2,1-5H3,(H2,14,15).
What are the key properties of methyl 2-amino-4-[bis(2-methylpropyl)amino]-1,3-thiazole-5-carboxylate?
methyl 2-amino-4-[bis(2-methylpropyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 285.41 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-[bis(2-methylpropyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 28815553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).