(1R,2R,3S,4S)-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

C16H16N2O4S2 — CID 27519790

IUPAC(1R,2R,3S,4S)-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCc1ccc(-c2csc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3O4)n2)s1
InChIInChI=1S/C16H16N2O4S2/c1-7-2-5-11(24-7)8-6-23-16(17-8)18-14(19)12-9-3-4-10(22-9)13(12)15(20)21/h2,5-6,9-10,12-13H,3-4H2,1H3,(H,20,21)(H,17,18,19)/t9-,10+,12+,13-/m0/s1
InChIKeyUNSHFKKSPVYQPC-YGNMPJRFSA-N
MW364.45 g/mol
LogP3.00
Rot. Bonds4

About (1R,2R,3S,4S)-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

(1R,2R,3S,4S)-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 27519790) has the molecular formula C16H16N2O4S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (1R,2R,3S,4S)-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,3S,4S)-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID27519790
Molecular FormulaC16H16N2O4S2
Molecular Weight364.45 g/mol
Exact Mass364.06
IUPAC Name(1R,2R,3S,4S)-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCc1ccc(-c2csc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3O4)n2)s1
InChIInChI=1S/C16H16N2O4S2/c1-7-2-5-11(24-7)8-6-23-16(17-8)18-14(19)12-9-3-4-10(22-9)13(12)15(20)21/h2,5-6,9-10,12-13H,3-4H2,1H3,(H,20,21)(H,17,18,19)/t9-,10+,12+,13-/m0/s1
InChIKeyUNSHFKKSPVYQPC-YGNMPJRFSA-N
XLogP3.00
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R,2R,3S,4S)-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R,3R,4R)-3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 27525882
(1S,2R,3S,4S)-3-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98222322
N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 119271224
2,2-dimethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 112771339
N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride
CID 119689444
N'-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 99801698
3-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 4674627
(1R,2R,3R,4R)-3-[[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 100690098
(2S)-2-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 119271226
2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 51328878
4-acetyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 43036556
2-ethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]butanamide
CID 112771343

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4S)-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of (1R,2R,3S,4S)-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (CID 27519790) is (1R,2R,3S,4S)-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for (1R,2R,3S,4S)-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for (1R,2R,3S,4S)-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is Cc1ccc(-c2csc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3O4)n2)s1.
What is the InChIKey of (1R,2R,3S,4S)-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is UNSHFKKSPVYQPC-YGNMPJRFSA-N. The full InChI is InChI=1S/C16H16N2O4S2/c1-7-2-5-11(24-7)8-6-23-16(17-8)18-14(19)12-9-3-4-10(22-9)13(12)15(20)21/h2,5-6,9-10,12-13H,3-4H2,1H3,(H,20,21)(H,17,18,19)/t9-,10+,12+,13-/m0/s1.
What are the key properties of (1R,2R,3S,4S)-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
(1R,2R,3S,4S)-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 364.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4S)-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 27519790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).