5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]thiophene-3-carboxylic acid

C10H10N2O3S2 — CID 106380427

IUPAC5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(CNCc2csc(=O)[nH]2)c1
InChIInChI=1S/C10H10N2O3S2/c13-9(14)6-1-8(16-4-6)3-11-2-7-5-17-10(15)12-7/h1,4-5,11H,2-3H2,(H,12,15)(H,13,14)
InChIKeyCDHBPFWBUHIDFU-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.49
Rot. Bonds5

About 5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]thiophene-3-carboxylic acid

5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]thiophene-3-carboxylic acid (PubChem CID 106380427) has the molecular formula C10H10N2O3S2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]thiophene-3-carboxylic acid
PubChem CID106380427
Molecular FormulaC10H10N2O3S2
Molecular Weight270.34 g/mol
Exact Mass270.01
IUPAC Name5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(CNCc2csc(=O)[nH]2)c1
InChIInChI=1S/C10H10N2O3S2/c13-9(14)6-1-8(16-4-6)3-11-2-7-5-17-10(15)12-7/h1,4-5,11H,2-3H2,(H,12,15)(H,13,14)
InChIKeyCDHBPFWBUHIDFU-UHFFFAOYSA-N
XLogP1.49
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]furan-3-carboxylic acid
CID 106382356
4-[[(3,5-difluorophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181240
4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 106382336
5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]thiophene-3-carboxylic acid
CID 115356130
4-[(1,3-thiazol-4-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380405
2-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]propanoic acid
CID 106382338
5-[(3-methylpentan-3-ylamino)methyl]thiophene-3-carboxylic acid
CID 106328425
N-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 106380942
5-[(2-propan-2-yloxyethylamino)methyl]thiophene-3-carboxylic acid
CID 104759331
N-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]acetamide
CID 106379644
3-bromo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]benzoic acid
CID 106382760
5-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]thiophene-3-carboxylic acid
CID 114756041

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]thiophene-3-carboxylic acid (CID 106380427) is 5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]thiophene-3-carboxylic acid is O=C(O)c1csc(CNCc2csc(=O)[nH]2)c1.
What is the InChIKey of 5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]thiophene-3-carboxylic acid?
The InChIKey is CDHBPFWBUHIDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S2/c13-9(14)6-1-8(16-4-6)3-11-2-7-5-17-10(15)12-7/h1,4-5,11H,2-3H2,(H,12,15)(H,13,14).
What are the key properties of 5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]thiophene-3-carboxylic acid?
5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]thiophene-3-carboxylic acid has a molecular weight of 270.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 106380427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).