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

C10H17N3O2S — CID 103381492

IUPACmethyl 3-amino-5-[ethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate
SMILESCCN(c1snc(N)c1C(=O)OC)C(C)C
InChIInChI=1S/C10H17N3O2S/c1-5-13(6(2)3)9-7(10(14)15-4)8(11)12-16-9/h6H,5H2,1-4H3,(H2,11,12)
InChIKeyWUTGCECUCFTLBH-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.75
Rot. Bonds4

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

methyl 3-amino-5-[ethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate (PubChem CID 103381492) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is methyl 3-amino-5-[ethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[ethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate
PubChem CID103381492
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Namemethyl 3-amino-5-[ethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate
SMILESCCN(c1snc(N)c1C(=O)OC)C(C)C
InChIInChI=1S/C10H17N3O2S/c1-5-13(6(2)3)9-7(10(14)15-4)8(11)12-16-9/h6H,5H2,1-4H3,(H2,11,12)
InChIKeyWUTGCECUCFTLBH-UHFFFAOYSA-N
XLogP1.75
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[ethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-[ethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate (CID 103381492) is methyl 3-amino-5-[ethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[ethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-[ethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate is CCN(c1snc(N)c1C(=O)OC)C(C)C.
What is the InChIKey of methyl 3-amino-5-[ethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate?
The InChIKey is WUTGCECUCFTLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-5-13(6(2)3)9-7(10(14)15-4)8(11)12-16-9/h6H,5H2,1-4H3,(H2,11,12).
What are the key properties of methyl 3-amino-5-[ethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate?
methyl 3-amino-5-[ethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate has a molecular weight of 243.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[ethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103381492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).