trans-(1R,2R)-2-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-carboxamide

C19H18N2O2S — CID 97030333

IUPACtrans-(1R,2R)-2-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)[C@@H]1C[C@H]1c1ccco1
InChIInChI=1S/C19H18N2O2S/c22-18(16-11-15(16)17-7-4-10-23-17)20-9-8-14-12-24-19(21-14)13-5-2-1-3-6-13/h1-7,10,12,15-16H,8-9,11H2,(H,20,22)/t15-,16-/m1/s1
InChIKeyBYVNYDFILYTYTN-HZPDHXFCSA-N
MW338.43 g/mol
LogP3.87
Rot. Bonds6

About trans-(1R,2R)-2-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 97030333) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is trans-(1R,2R)-2-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID97030333
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Nametrans-(1R,2R)-2-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)[C@@H]1C[C@H]1c1ccco1
InChIInChI=1S/C19H18N2O2S/c22-18(16-11-15(16)17-7-4-10-23-17)20-9-8-14-12-24-19(21-14)13-5-2-1-3-6-13/h1-7,10,12,15-16H,8-9,11H2,(H,20,22)/t15-,16-/m1/s1
InChIKeyBYVNYDFILYTYTN-HZPDHXFCSA-N
XLogP3.87
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 97222508
3-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 71973739
(1S,6S)-6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate
CID 7119142
2-(furan-2-yl)-N-(2-naphthalen-2-ylethyl)cyclopropane-1-carboxamide
CID 86852820
trans-(1R,2R)-2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 97323969
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 119266960
2-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 86851473
(2R,3S)-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120918381
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86852704
cis-(1S,2R)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124886534
trans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124886542
2-[[[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 99605986

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-carboxamide (CID 97030333) is trans-(1R,2R)-2-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-carboxamide is O=C(NCCc1csc(-c2ccccc2)n1)[C@@H]1C[C@H]1c1ccco1.
What is the InChIKey of trans-(1R,2R)-2-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is BYVNYDFILYTYTN-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H18N2O2S/c22-18(16-11-15(16)17-7-4-10-23-17)20-9-8-14-12-24-19(21-14)13-5-2-1-3-6-13/h1-7,10,12,15-16H,8-9,11H2,(H,20,22)/t15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 97030333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).