1-N'-(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

C18H18FN3O2S — CID 168737766

IUPAC1-N'-(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1sc(NC(=O)C2(C(=O)Nc3ccc(F)cc3)CC2)nc1C1CC1
InChIInChI=1S/C18H18FN3O2S/c1-10-14(11-2-3-11)21-17(25-10)22-16(24)18(8-9-18)15(23)20-13-6-4-12(19)5-7-13/h4-7,11H,2-3,8-9H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyAYPMJSIZXXQVPX-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.83
Rot. Bonds5

About 1-N'-(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

1-N'-(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 168737766) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-N'-(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID168737766
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name1-N'-(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1sc(NC(=O)C2(C(=O)Nc3ccc(F)cc3)CC2)nc1C1CC1
InChIInChI=1S/C18H18FN3O2S/c1-10-14(11-2-3-11)21-17(25-10)22-16(24)18(8-9-18)15(23)20-13-6-4-12(19)5-7-13/h4-7,11H,2-3,8-9H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyAYPMJSIZXXQVPX-UHFFFAOYSA-N
XLogP3.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane
CID 159939709
ethyl 2-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 156828643
ethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 142389923
1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 58987988
N-(4-fluorophenyl)-1-propanoylcyclopropane-1-carboxamide
CID 165143774
1-N'-(4-fluorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982390
N-(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)-2-hydroxy-2,2-diphenylacetamide
CID 167959663
1-N'-(4-fluorophenyl)-1-N-(4-sulfanyloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 144712460
4-cyclopropyl-2-[(4-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylic acid
CID 94970365
1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970891
ethane;1-N-(4-fluorophenyl)-1-N'-[4-phenyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazol-2-yl]cyclopropane-1,1-dicarboxamide
CID 156828699
1-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119266987

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 168737766) is 1-N'-(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is Cc1sc(NC(=O)C2(C(=O)Nc3ccc(F)cc3)CC2)nc1C1CC1.
What is the InChIKey of 1-N'-(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is AYPMJSIZXXQVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-10-14(11-2-3-11)21-17(25-10)22-16(24)18(8-9-18)15(23)20-13-6-4-12(19)5-7-13/h4-7,11H,2-3,8-9H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of 1-N'-(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 168737766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).