5-[[(1S,2S)-2-phenylcyclopropyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid

C14H14N2O4S2 — CID 146134257

IUPAC5-[[(1S,2S)-2-phenylcyclopropyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1S(=O)(=O)NC[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C14H14N2O4S2/c17-13(18)12-14(21-8-15-12)22(19,20)16-7-10-6-11(10)9-4-2-1-3-5-9/h1-5,8,10-11,16H,6-7H2,(H,17,18)/t10-,11-/m1/s1
InChIKeyUIHORPGCQLDSHM-GHMZBOCLSA-N
MW338.41 g/mol
LogP1.92
Rot. Bonds6

About 5-[[(1S,2S)-2-phenylcyclopropyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid

5-[[(1S,2S)-2-phenylcyclopropyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 146134257) has the molecular formula C14H14N2O4S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-[[(1S,2S)-2-phenylcyclopropyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[(1S,2S)-2-phenylcyclopropyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID146134257
Molecular FormulaC14H14N2O4S2
Molecular Weight338.41 g/mol
Exact Mass338.04
IUPAC Name5-[[(1S,2S)-2-phenylcyclopropyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1S(=O)(=O)NC[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C14H14N2O4S2/c17-13(18)12-14(21-8-15-12)22(19,20)16-7-10-6-11(10)9-4-2-1-3-5-9/h1-5,8,10-11,16H,6-7H2,(H,17,18)/t10-,11-/m1/s1
InChIKeyUIHORPGCQLDSHM-GHMZBOCLSA-N
XLogP1.92
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 107215379
N-[(2-phenylcyclopropyl)methyl]acetamide
CID 70274109
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
CID 70274106
5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113392095
5-[3-(hydroxymethyl)azetidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylic acid
CID 107215906
1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea
CID 97081607
3-[(2-phenylcyclopropyl)methylamino]propanamide
CID 115919599
5-[cyclopentyl(methyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113391916
3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid
CID 124603501
5-[cyclopentylmethyl(methyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113392037
1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122015491
5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylic acid
CID 107215330

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,2S)-2-phenylcyclopropyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[[(1S,2S)-2-phenylcyclopropyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid (CID 146134257) is 5-[[(1S,2S)-2-phenylcyclopropyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[[(1S,2S)-2-phenylcyclopropyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[[(1S,2S)-2-phenylcyclopropyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1S(=O)(=O)NC[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 5-[[(1S,2S)-2-phenylcyclopropyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is UIHORPGCQLDSHM-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H14N2O4S2/c17-13(18)12-14(21-8-15-12)22(19,20)16-7-10-6-11(10)9-4-2-1-3-5-9/h1-5,8,10-11,16H,6-7H2,(H,17,18)/t10-,11-/m1/s1.
What are the key properties of 5-[[(1S,2S)-2-phenylcyclopropyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid?
5-[[(1S,2S)-2-phenylcyclopropyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 338.41 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,2S)-2-phenylcyclopropyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 146134257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).