(1R,2R,3R)-N-hydroxy-2-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide

C20H18N2O2S — CID 88925042

IUPAC(1R,2R,3R)-N-hydroxy-2-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
SMILESCc1cnc(-c2ccc([C@H]3[C@H](C(=O)NO)[C@@H]3c3ccccc3)cc2)s1
InChIInChI=1S/C20H18N2O2S/c1-12-11-21-20(25-12)15-9-7-14(8-10-15)17-16(18(17)19(23)22-24)13-5-3-2-4-6-13/h2-11,16-18,24H,1H3,(H,22,23)/t16-,17-,18-/m1/s1
InChIKeyDAHRPOZTYUIRLT-KZNAEPCWSA-N
MW350.44 g/mol
LogP4.12
Rot. Bonds4

About (1R,2R,3R)-N-hydroxy-2-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide

(1R,2R,3R)-N-hydroxy-2-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide (PubChem CID 88925042) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is (1R,2R,3R)-N-hydroxy-2-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R,2R,3R)-N-hydroxy-2-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
PubChem CID88925042
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name(1R,2R,3R)-N-hydroxy-2-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
SMILESCc1cnc(-c2ccc([C@H]3[C@H](C(=O)NO)[C@@H]3c3ccccc3)cc2)s1
InChIInChI=1S/C20H18N2O2S/c1-12-11-21-20(25-12)15-9-7-14(8-10-15)17-16(18(17)19(23)22-24)13-5-3-2-4-6-13/h2-11,16-18,24H,1H3,(H,22,23)/t16-,17-,18-/m1/s1
InChIKeyDAHRPOZTYUIRLT-KZNAEPCWSA-N
XLogP4.12
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-N-hydroxy-2-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide?
The IUPAC name of (1R,2R,3R)-N-hydroxy-2-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide (CID 88925042) is (1R,2R,3R)-N-hydroxy-2-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R,2R,3R)-N-hydroxy-2-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide?
The canonical SMILES for (1R,2R,3R)-N-hydroxy-2-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide is Cc1cnc(-c2ccc([C@H]3[C@H](C(=O)NO)[C@@H]3c3ccccc3)cc2)s1.
What is the InChIKey of (1R,2R,3R)-N-hydroxy-2-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide?
The InChIKey is DAHRPOZTYUIRLT-KZNAEPCWSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-12-11-21-20(25-12)15-9-7-14(8-10-15)17-16(18(17)19(23)22-24)13-5-3-2-4-6-13/h2-11,16-18,24H,1H3,(H,22,23)/t16-,17-,18-/m1/s1.
What are the key properties of (1R,2R,3R)-N-hydroxy-2-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide?
(1R,2R,3R)-N-hydroxy-2-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-N-hydroxy-2-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 88925042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).