methyl 2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxylate

C15H20N2O3S — CID 141162652

IUPACmethyl 2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NC(=O)C2C(C=C(C)C)C2(C)C)n1
InChIInChI=1S/C15H20N2O3S/c1-8(2)6-9-11(15(9,3)4)12(18)17-14-16-10(7-21-14)13(19)20-5/h6-7,9,11H,1-5H3,(H,16,17,18)
InChIKeyPYNOLGVEAYGLBX-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.11
Rot. Bonds4

About methyl 2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxylate

methyl 2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 141162652) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is methyl 2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID141162652
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Namemethyl 2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NC(=O)C2C(C=C(C)C)C2(C)C)n1
InChIInChI=1S/C15H20N2O3S/c1-8(2)6-9-11(15(9,3)4)12(18)17-14-16-10(7-21-14)13(19)20-5/h6-7,9,11H,1-5H3,(H,16,17,18)
InChIKeyPYNOLGVEAYGLBX-UHFFFAOYSA-N
XLogP3.11
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 18151160
cis-(1S,3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 32868715
trans-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 31349965
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 3164035
methyl 2-(prop-2-enoylamino)-1,3-thiazole-4-carboxylate
CID 153387484
ethyl 2-[2-[[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 141162642
methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 14812829
cis-methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 10965156
methyl N-[4-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]phenyl]-N-methylcarbamate
CID 71886670
methyl 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylate
CID 106218832
methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 107925304
methyl 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]acetate
CID 94183727

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxylate (CID 141162652) is methyl 2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(NC(=O)C2C(C=C(C)C)C2(C)C)n1.
What is the InChIKey of methyl 2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is PYNOLGVEAYGLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-8(2)6-9-11(15(9,3)4)12(18)17-14-16-10(7-21-14)13(19)20-5/h6-7,9,11H,1-5H3,(H,16,17,18).
What are the key properties of methyl 2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxylate?
methyl 2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 308.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 141162652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).