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

C11H17N3O3S — CID 110443791

IUPACpropan-2-yl 2-(dimethylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(NC(=O)N(C)C)sc1C(=O)OC(C)C
InChIInChI=1S/C11H17N3O3S/c1-6(2)17-9(15)8-7(3)12-10(18-8)13-11(16)14(4)5/h6H,1-5H3,(H,12,13,16)
InChIKeyVEBRPNZOFGWVLW-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.11
Rot. Bonds3

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

propan-2-yl 2-(dimethylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 110443791) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is propan-2-yl 2-(dimethylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-(dimethylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID110443791
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Namepropan-2-yl 2-(dimethylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(NC(=O)N(C)C)sc1C(=O)OC(C)C
InChIInChI=1S/C11H17N3O3S/c1-6(2)17-9(15)8-7(3)12-10(18-8)13-11(16)14(4)5/h6H,1-5H3,(H,12,13,16)
InChIKeyVEBRPNZOFGWVLW-UHFFFAOYSA-N
XLogP2.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-[[4-(dimethylamino)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 110444428
propan-2-yl 2-[3-[butyl(methyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108795382
5-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
CID 110442608
2-(dimethylcarbamoylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 110443786
propan-2-yl 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 110441431
propan-2-yl 4-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxylate
CID 110439718
propan-2-yl 2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108796730
propan-2-yl 2-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 40894347
propan-2-yl 2-[[2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 40894348
ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 3663745
methyl 4-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-5-carboxylate
CID 106044634
propan-2-yl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 108793659

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(dimethylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of propan-2-yl 2-(dimethylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 110443791) is propan-2-yl 2-(dimethylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for propan-2-yl 2-(dimethylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for propan-2-yl 2-(dimethylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate is Cc1nc(NC(=O)N(C)C)sc1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-(dimethylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is VEBRPNZOFGWVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-6(2)17-9(15)8-7(3)12-10(18-8)13-11(16)14(4)5/h6H,1-5H3,(H,12,13,16).
What are the key properties of propan-2-yl 2-(dimethylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
propan-2-yl 2-(dimethylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 271.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(dimethylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 110443791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).