propan-2-yl 4-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxylate

C18H20N2O3S — CID 110439718

IUPACpropan-2-yl 4-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCc1nc(NC(=O)C2(c3ccccc3)CC2)sc1C(=O)OC(C)C
InChIInChI=1S/C18H20N2O3S/c1-11(2)23-15(21)14-12(3)19-17(24-14)20-16(22)18(9-10-18)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,19,20,22)
InChIKeyAORRPFSQKAQLPY-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.69
Rot. Bonds5

About propan-2-yl 4-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxylate

propan-2-yl 4-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 110439718) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is propan-2-yl 4-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID110439718
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Namepropan-2-yl 4-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCc1nc(NC(=O)C2(c3ccccc3)CC2)sc1C(=O)OC(C)C
InChIInChI=1S/C18H20N2O3S/c1-11(2)23-15(21)14-12(3)19-17(24-14)20-16(22)18(9-10-18)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,19,20,22)
InChIKeyAORRPFSQKAQLPY-UHFFFAOYSA-N
XLogP3.69
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
CID 110442608
propan-2-yl 2-(dimethylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 110443791
propan-2-yl 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 110441431
1-phenyl-N-[5-(1-phenylethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 59765206
propan-2-yl 2-[[4-(dimethylamino)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 110444428
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 29456239
5-[[2-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfinylmethyl]furan-2-carboxylic acid
CID 123122766
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 2528625
propan-2-yl 2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108796730
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 32620190
methyl 2-[[2-[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 95144508
methyl 2-[[2-[(3R)-3-hydroxy-3-phenylpyrrolidin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 95144509

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of propan-2-yl 4-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxylate (CID 110439718) is propan-2-yl 4-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for propan-2-yl 4-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for propan-2-yl 4-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxylate is Cc1nc(NC(=O)C2(c3ccccc3)CC2)sc1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 4-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is AORRPFSQKAQLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-11(2)23-15(21)14-12(3)19-17(24-14)20-16(22)18(9-10-18)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,19,20,22).
What are the key properties of propan-2-yl 4-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxylate?
propan-2-yl 4-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 344.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 110439718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).