methyl 2-(methylcarbamoylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate

C10H15N3O3S — CID 101067695

IUPACmethyl 2-(methylcarbamoylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate
SMILESCNC(=O)Nc1nc(C(=O)OC)c(C(C)C)s1
InChIInChI=1S/C10H15N3O3S/c1-5(2)7-6(8(14)16-4)12-10(17-7)13-9(15)11-3/h5H,1-4H3,(H2,11,12,13,15)
InChIKeyZSQXUUADZLDEEJ-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.80
Rot. Bonds3

About methyl 2-(methylcarbamoylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate

methyl 2-(methylcarbamoylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate (PubChem CID 101067695) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is methyl 2-(methylcarbamoylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(methylcarbamoylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate
PubChem CID101067695
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Namemethyl 2-(methylcarbamoylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate
SMILESCNC(=O)Nc1nc(C(=O)OC)c(C(C)C)s1
InChIInChI=1S/C10H15N3O3S/c1-5(2)7-6(8(14)16-4)12-10(17-7)13-9(15)11-3/h5H,1-4H3,(H2,11,12,13,15)
InChIKeyZSQXUUADZLDEEJ-UHFFFAOYSA-N
XLogP1.80
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(tert-butylcarbamoylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 101067696
methyl 2-(ethylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 10775724
methyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 87301133
methyl 2-methylsulfanyl-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 89470254
methyl 2-[(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 155961942
methyl 2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 71701127
methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 71827806
methyl 2-[[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 95859392
methyl 2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methoxypropanoyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 87479201
methyl 2-[[(3R)-5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 97426880
methyl 2-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 71710125
methyl 2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 71827924

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylcarbamoylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(methylcarbamoylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate (CID 101067695) is methyl 2-(methylcarbamoylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(methylcarbamoylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(methylcarbamoylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate is CNC(=O)Nc1nc(C(=O)OC)c(C(C)C)s1.
What is the InChIKey of methyl 2-(methylcarbamoylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The InChIKey is ZSQXUUADZLDEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-5(2)7-6(8(14)16-4)12-10(17-7)13-9(15)11-3/h5H,1-4H3,(H2,11,12,13,15).
What are the key properties of methyl 2-(methylcarbamoylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate?
methyl 2-(methylcarbamoylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate has a molecular weight of 257.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylcarbamoylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 101067695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).