cis-(1S,2R)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide

C18H20N2OS — CID 98768916

IUPACcis-(1S,2R)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1cnc([C@H](NC(=O)[C@H]2C[C@H]2c2ccccc2)C2CC2)s1
InChIInChI=1S/C18H20N2OS/c1-11-10-19-18(22-11)16(13-7-8-13)20-17(21)15-9-14(15)12-5-3-2-4-6-12/h2-6,10,13-16H,7-9H2,1H3,(H,20,21)/t14-,15-,16+/m0/s1
InChIKeyJZKSVSIWHJJTRL-HRCADAONSA-N
MW312.44 g/mol
LogP3.82
Rot. Bonds5

About cis-(1S,2R)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 98768916) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID98768916
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Namecis-(1S,2R)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1cnc([C@H](NC(=O)[C@H]2C[C@H]2c2ccccc2)C2CC2)s1
InChIInChI=1S/C18H20N2OS/c1-11-10-19-18(22-11)16(13-7-8-13)20-17(21)15-9-14(15)12-5-3-2-4-6-12/h2-6,10,13-16H,7-9H2,1H3,(H,20,21)/t14-,15-,16+/m0/s1
InChIKeyJZKSVSIWHJJTRL-HRCADAONSA-N
XLogP3.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide (CID 98768916) is cis-(1S,2R)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide is Cc1cnc([C@H](NC(=O)[C@H]2C[C@H]2c2ccccc2)C2CC2)s1.
What is the InChIKey of cis-(1S,2R)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is JZKSVSIWHJJTRL-HRCADAONSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-11-10-19-18(22-11)16(13-7-8-13)20-17(21)15-9-14(15)12-5-3-2-4-6-12/h2-6,10,13-16H,7-9H2,1H3,(H,20,21)/t14-,15-,16+/m0/s1.
What are the key properties of cis-(1S,2R)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 98768916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).