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

C14H17N3O3S2 — CID 47065534

IUPACmethyl 3-methyl-5-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(C)nsc1NC(=O)N(C)C(C)c1cccs1
InChIInChI=1S/C14H17N3O3S2/c1-8-11(13(18)20-4)12(22-16-8)15-14(19)17(3)9(2)10-6-5-7-21-10/h5-7,9H,1-4H3,(H,15,19)
InChIKeyKOGNWEBTYVOLJC-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.52
Rot. Bonds4

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

methyl 3-methyl-5-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]-1,2-thiazole-4-carboxylate (PubChem CID 47065534) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is methyl 3-methyl-5-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]-1,2-thiazole-4-carboxylate
PubChem CID47065534
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Namemethyl 3-methyl-5-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(C)nsc1NC(=O)N(C)C(C)c1cccs1
InChIInChI=1S/C14H17N3O3S2/c1-8-11(13(18)20-4)12(22-16-8)15-14(19)17(3)9(2)10-6-5-7-21-10/h5-7,9H,1-4H3,(H,15,19)
InChIKeyKOGNWEBTYVOLJC-UHFFFAOYSA-N
XLogP3.52
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-methyl-5-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]-1,2-thiazole-4-carboxylate with MolForge

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Related Compounds

methyl 5-[[dicyclopropylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 49467869
2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114407
methyl 5-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 48817604
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 99820560
1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 99820561
1-methyl-3-(1-propan-2-ylpyrazol-3-yl)-1-(1-thiophen-2-ylethyl)urea
CID 136539460
3-(2-chlorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 47137208
3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 42930015
1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 40881689
3-(2-chloro-3-pyridinyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 47435001
ethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate
CID 97029198

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-methyl-5-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]-1,2-thiazole-4-carboxylate (CID 47065534) is methyl 3-methyl-5-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-methyl-5-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]-1,2-thiazole-4-carboxylate is COC(=O)c1c(C)nsc1NC(=O)N(C)C(C)c1cccs1.
What is the InChIKey of methyl 3-methyl-5-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]-1,2-thiazole-4-carboxylate?
The InChIKey is KOGNWEBTYVOLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-8-11(13(18)20-4)12(22-16-8)15-14(19)17(3)9(2)10-6-5-7-21-10/h5-7,9H,1-4H3,(H,15,19).
What are the key properties of methyl 3-methyl-5-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]-1,2-thiazole-4-carboxylate?
methyl 3-methyl-5-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]-1,2-thiazole-4-carboxylate has a molecular weight of 339.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 47065534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).