N-[(1R)-1-(2-ethoxy-1,3-thiazol-5-yl)ethyl]-2-(1-methylindol-3-yl)cyclopropane-1-carboxamide

C20H23N3O2S — CID 159212917

IUPACN-[(1R)-1-(2-ethoxy-1,3-thiazol-5-yl)ethyl]-2-(1-methylindol-3-yl)cyclopropane-1-carboxamide
SMILESCCOc1ncc([C@@H](C)NC(=O)C2CC2c2cn(C)c3ccccc23)s1
InChIInChI=1S/C20H23N3O2S/c1-4-25-20-21-10-18(26-20)12(2)22-19(24)15-9-14(15)16-11-23(3)17-8-6-5-7-13(16)17/h5-8,10-12,14-15H,4,9H2,1-3H3,(H,22,24)/t12-,14?,15?/m1/s1
InChIKeyKQSJSILLBWLGMM-LRVUVFPRSA-N
MW369.49 g/mol
LogP4.01
Rot. Bonds6

About N-[(1R)-1-(2-ethoxy-1,3-thiazol-5-yl)ethyl]-2-(1-methylindol-3-yl)cyclopropane-1-carboxamide

N-[(1R)-1-(2-ethoxy-1,3-thiazol-5-yl)ethyl]-2-(1-methylindol-3-yl)cyclopropane-1-carboxamide (PubChem CID 159212917) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[(1R)-1-(2-ethoxy-1,3-thiazol-5-yl)ethyl]-2-(1-methylindol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-ethoxy-1,3-thiazol-5-yl)ethyl]-2-(1-methylindol-3-yl)cyclopropane-1-carboxamide
PubChem CID159212917
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[(1R)-1-(2-ethoxy-1,3-thiazol-5-yl)ethyl]-2-(1-methylindol-3-yl)cyclopropane-1-carboxamide
SMILESCCOc1ncc([C@@H](C)NC(=O)C2CC2c2cn(C)c3ccccc23)s1
InChIInChI=1S/C20H23N3O2S/c1-4-25-20-21-10-18(26-20)12(2)22-19(24)15-9-14(15)16-11-23(3)17-8-6-5-7-13(16)17/h5-8,10-12,14-15H,4,9H2,1-3H3,(H,22,24)/t12-,14?,15?/m1/s1
InChIKeyKQSJSILLBWLGMM-LRVUVFPRSA-N
XLogP4.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-ethoxy-1,3-thiazol-5-yl)ethyl]-2-(1-methylindol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(1R)-1-(2-ethoxy-1,3-thiazol-5-yl)ethyl]-2-(1-methylindol-3-yl)cyclopropane-1-carboxamide (CID 159212917) is N-[(1R)-1-(2-ethoxy-1,3-thiazol-5-yl)ethyl]-2-(1-methylindol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-ethoxy-1,3-thiazol-5-yl)ethyl]-2-(1-methylindol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-ethoxy-1,3-thiazol-5-yl)ethyl]-2-(1-methylindol-3-yl)cyclopropane-1-carboxamide is CCOc1ncc([C@@H](C)NC(=O)C2CC2c2cn(C)c3ccccc23)s1.
What is the InChIKey of N-[(1R)-1-(2-ethoxy-1,3-thiazol-5-yl)ethyl]-2-(1-methylindol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is KQSJSILLBWLGMM-LRVUVFPRSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-4-25-20-21-10-18(26-20)12(2)22-19(24)15-9-14(15)16-11-23(3)17-8-6-5-7-13(16)17/h5-8,10-12,14-15H,4,9H2,1-3H3,(H,22,24)/t12-,14?,15?/m1/s1.
What are the key properties of N-[(1R)-1-(2-ethoxy-1,3-thiazol-5-yl)ethyl]-2-(1-methylindol-3-yl)cyclopropane-1-carboxamide?
N-[(1R)-1-(2-ethoxy-1,3-thiazol-5-yl)ethyl]-2-(1-methylindol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-ethoxy-1,3-thiazol-5-yl)ethyl]-2-(1-methylindol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 159212917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).