cis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide

C13H14N2OS — CID 7026828

IUPACcis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NC1=NCCS1)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C13H14N2OS/c16-12(15-13-14-6-7-17-13)11-8-10(11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,15,16)/t10-,11-/m1/s1
InChIKeyKRMDOGUODZDKRY-GHMZBOCLSA-N
MW246.33 g/mol
LogP2.01
Rot. Bonds2

About cis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide

cis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 7026828) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is cis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
PubChem CID7026828
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Namecis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NC1=NCCS1)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C13H14N2OS/c16-12(15-13-14-6-7-17-13)11-8-10(11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,15,16)/t10-,11-/m1/s1
InChIKeyKRMDOGUODZDKRY-GHMZBOCLSA-N
XLogP2.01
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
4-ethyl-5-methyl-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide
CID 898789
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
2-phenyl-N-[5-[4-[5-[(2-phenylcyclopropanecarbonyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 123729437
N-(6-chloropyridazin-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 115624549
cis-(1R,2S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 35760812
2-phenyl-N-(4-pyrazol-1-ylphenyl)cyclopropane-1-carboxamide
CID 45154230
N-(3-hydroxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 81445768
N-(4-acetylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 4205798
cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 40540857
2-phenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide
CID 631039

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide (CID 7026828) is cis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide is O=C(NC1=NCCS1)[C@@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of cis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is KRMDOGUODZDKRY-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H14N2OS/c16-12(15-13-14-6-7-17-13)11-8-10(11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,15,16)/t10-,11-/m1/s1.
What are the key properties of cis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 246.33 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 7026828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).