N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide

C17H17FN4O2S — CID 95179503

IUPACN-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(N2CCNC2=O)n1)N[C@@H]1C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C17H17FN4O2S/c18-11-3-1-2-10(6-11)13-8-14(13)21-15(23)7-12-9-25-17(20-12)22-5-4-19-16(22)24/h1-3,6,9,13-14H,4-5,7-8H2,(H,19,24)(H,21,23)/t13-,14-/m1/s1
InChIKeyBACMVXQJUJNBDQ-ZIAGYGMSSA-N
MW360.41 g/mol
LogP2.03
Rot. Bonds5

About N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide

N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 95179503) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID95179503
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC NameN-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(N2CCNC2=O)n1)N[C@@H]1C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C17H17FN4O2S/c18-11-3-1-2-10(6-11)13-8-14(13)21-15(23)7-12-9-25-17(20-12)22-5-4-19-16(22)24/h1-3,6,9,13-14H,4-5,7-8H2,(H,19,24)(H,21,23)/t13-,14-/m1/s1
InChIKeyBACMVXQJUJNBDQ-ZIAGYGMSSA-N
XLogP2.03
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-3-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 55888121
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CID 75362669
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CID 97018981
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CID 42961693
N-[[4-(3-methylphenyl)phenyl]methyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 86968014
N-(3,5-dichlorophenyl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55729636
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55718596
N-[2-fluoro-5-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]cyclohexanecarboxamide
CID 55722966
2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 154773884
N-(4-ethylsulfonylphenyl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55775962
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide
CID 86934117
4-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide
CID 55887416

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide (CID 95179503) is N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(N2CCNC2=O)n1)N[C@@H]1C[C@@H]1c1cccc(F)c1.
What is the InChIKey of N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is BACMVXQJUJNBDQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c18-11-3-1-2-10(6-11)13-8-14(13)21-15(23)7-12-9-25-17(20-12)22-5-4-19-16(22)24/h1-3,6,9,13-14H,4-5,7-8H2,(H,19,24)(H,21,23)/t13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 360.41 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 95179503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).