trans-(1R,2R)-2-[4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]phenyl]cyclopropane-1-carboxylic acid

C15H16N2O3S — CID 166253526

IUPACtrans-(1R,2R)-2-[4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]phenyl]cyclopropane-1-carboxylic acid
SMILESCOc1cc(CNc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)sn1
InChIInChI=1S/C15H16N2O3S/c1-20-14-6-11(21-17-14)8-16-10-4-2-9(3-5-10)12-7-13(12)15(18)19/h2-6,12-13,16H,7-8H2,1H3,(H,18,19)/t12-,13+/m0/s1
InChIKeyWJNHLJRRFBORIB-QWHCGFSZSA-N
MW304.37 g/mol
LogP2.95
Rot. Bonds6

About trans-(1R,2R)-2-[4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]phenyl]cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-[4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 166253526) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]phenyl]cyclopropane-1-carboxylic acid
PubChem CID166253526
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Nametrans-(1R,2R)-2-[4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]phenyl]cyclopropane-1-carboxylic acid
SMILESCOc1cc(CNc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)sn1
InChIInChI=1S/C15H16N2O3S/c1-20-14-6-11(21-17-14)8-16-10-4-2-9(3-5-10)12-7-13(12)15(18)19/h2-6,12-13,16H,7-8H2,1H3,(H,18,19)/t12-,13+/m0/s1
InChIKeyWJNHLJRRFBORIB-QWHCGFSZSA-N
XLogP2.95
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-2-[4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]phenyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

trans-(1R,2R)-2-(4-bromophenyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylcyclopropane-1-carboxamide
CID 166263231
trans-(1R,2R)-2-[4-[(3,4-difluoro-5-methoxyphenyl)methylamino]phenyl]cyclopropane-1-carboxylic acid
CID 166274122
ethyl 5-[(3-methoxy-1,2-thiazol-5-yl)methylamino]pyridine-2-carboxylate
CID 154845831
trans-(1R,2R)-2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]cyclopropane-1-carboxylic acid
CID 154806151
2-(4-hydroxy-3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 53275991
trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid
CID 39235850
2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 23423017
trans-(1R,2R)-2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]cyclopropane-1-carboxylic acid
CID 166253534
trans-(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 93299452
trans-(1R,2R)-2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethylamino)phenyl]cyclopropane-1-carboxylic acid
CID 166253533
2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
CID 21190507
methyl 2-[4-(methylamino)phenyl]cyclopropane-1-carboxylate
CID 59369268

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]phenyl]cyclopropane-1-carboxylic acid (CID 166253526) is trans-(1R,2R)-2-[4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]phenyl]cyclopropane-1-carboxylic acid is COc1cc(CNc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)sn1.
What is the InChIKey of trans-(1R,2R)-2-[4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is WJNHLJRRFBORIB-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-20-14-6-11(21-17-14)8-16-10-4-2-9(3-5-10)12-7-13(12)15(18)19/h2-6,12-13,16H,7-8H2,1H3,(H,18,19)/t12-,13+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]phenyl]cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-[4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 166253526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).