methyl 3-methyl-5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-1,2-thiazole-4-carboxylate

C12H17N3O3S — CID 95145098

IUPACmethyl 3-methyl-5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(C)nsc1NC(=O)N1CC[C@@H](C)C1
InChIInChI=1S/C12H17N3O3S/c1-7-4-5-15(6-7)12(17)13-10-9(11(16)18-3)8(2)14-19-10/h7H,4-6H2,1-3H3,(H,13,17)/t7-/m1/s1
InChIKeyAYQIIIHIDRCHST-SSDOTTSWSA-N
MW283.35 g/mol
LogP2.11
Rot. Bonds2

About methyl 3-methyl-5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-1,2-thiazole-4-carboxylate

methyl 3-methyl-5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-1,2-thiazole-4-carboxylate (PubChem CID 95145098) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is methyl 3-methyl-5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-1,2-thiazole-4-carboxylate
PubChem CID95145098
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Namemethyl 3-methyl-5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(C)nsc1NC(=O)N1CC[C@@H](C)C1
InChIInChI=1S/C12H17N3O3S/c1-7-4-5-15(6-7)12(17)13-10-9(11(16)18-3)8(2)14-19-10/h7H,4-6H2,1-3H3,(H,13,17)/t7-/m1/s1
InChIKeyAYQIIIHIDRCHST-SSDOTTSWSA-N
XLogP2.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-methyl-5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-1,2-thiazole-4-carboxylate (CID 95145098) is methyl 3-methyl-5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-methyl-5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-1,2-thiazole-4-carboxylate is COC(=O)c1c(C)nsc1NC(=O)N1CC[C@@H](C)C1.
What is the InChIKey of methyl 3-methyl-5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-1,2-thiazole-4-carboxylate?
The InChIKey is AYQIIIHIDRCHST-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-7-4-5-15(6-7)12(17)13-10-9(11(16)18-3)8(2)14-19-10/h7H,4-6H2,1-3H3,(H,13,17)/t7-/m1/s1.
What are the key properties of methyl 3-methyl-5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-1,2-thiazole-4-carboxylate?
methyl 3-methyl-5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-1,2-thiazole-4-carboxylate has a molecular weight of 283.35 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 95145098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).