methyl 5-[[dicyclopropylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate

C15H21N3O3S — CID 49467869

IUPACmethyl 5-[[dicyclopropylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(C)nsc1NC(=O)N(C)C(C1CC1)C1CC1
InChIInChI=1S/C15H21N3O3S/c1-8-11(14(19)21-3)13(22-17-8)16-15(20)18(2)12(9-4-5-9)10-6-7-10/h9-10,12H,4-7H2,1-3H3,(H,16,20)
InChIKeyBSLCGWVGUCXYAS-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.89
Rot. Bonds5

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

methyl 5-[[dicyclopropylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 49467869) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is methyl 5-[[dicyclopropylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[dicyclopropylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID49467869
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Namemethyl 5-[[dicyclopropylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(C)nsc1NC(=O)N(C)C(C1CC1)C1CC1
InChIInChI=1S/C15H21N3O3S/c1-8-11(14(19)21-3)13(22-17-8)16-15(20)18(2)12(9-4-5-9)10-6-7-10/h9-10,12H,4-7H2,1-3H3,(H,16,20)
InChIKeyBSLCGWVGUCXYAS-UHFFFAOYSA-N
XLogP2.89
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[dicyclopropylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 5-[[dicyclopropylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate (CID 49467869) is methyl 5-[[dicyclopropylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-[[dicyclopropylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-[[dicyclopropylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate is COC(=O)c1c(C)nsc1NC(=O)N(C)C(C1CC1)C1CC1.
What is the InChIKey of methyl 5-[[dicyclopropylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is BSLCGWVGUCXYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-8-11(14(19)21-3)13(22-17-8)16-15(20)18(2)12(9-4-5-9)10-6-7-10/h9-10,12H,4-7H2,1-3H3,(H,16,20).
What are the key properties of methyl 5-[[dicyclopropylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate?
methyl 5-[[dicyclopropylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 323.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[dicyclopropylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 49467869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).