trans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid

C15H14N2O3S — CID 124886542

IUPACtrans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H]1C(=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C15H14N2O3S/c18-13(11-6-12(11)15(19)20)16-7-10-8-21-14(17-10)9-4-2-1-3-5-9/h1-5,8,11-12H,6-7H2,(H,16,18)(H,19,20)/t11-,12-/m0/s1
InChIKeyBBXYDTPARKIOHM-RYUDHWBXSA-N
MW302.35 g/mol
LogP2.15
Rot. Bonds5

About trans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid

trans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 124886542) has the molecular formula C15H14N2O3S and a molecular weight of 302.35 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID124886542
Molecular FormulaC15H14N2O3S
Molecular Weight302.35 g/mol
Exact Mass302.07
IUPAC Nametrans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H]1C(=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C15H14N2O3S/c18-13(11-6-12(11)15(19)20)16-7-10-8-21-14(17-10)9-4-2-1-3-5-9/h1-5,8,11-12H,6-7H2,(H,16,18)(H,19,20)/t11-,12-/m0/s1
InChIKeyBBXYDTPARKIOHM-RYUDHWBXSA-N
XLogP2.15
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124886534
trans-(1R,2R)-2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 97323969
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523
2,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 167897689
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120924759
cis-(1R,2S)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 97222508
2-hydroxy-2-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 111536450
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 72916172
(2R)-1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 97145298
cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 95150035
(1S,6S)-6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate
CID 7119142

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 124886542) is trans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@@H]1C(=O)NCc1csc(-c2ccccc2)n1.
What is the InChIKey of trans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is BBXYDTPARKIOHM-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-13(11-6-12(11)15(19)20)16-7-10-8-21-14(17-10)9-4-2-1-3-5-9/h1-5,8,11-12H,6-7H2,(H,16,18)(H,19,20)/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 302.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 124886542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).