2-[(E,3S)-3,4-dihydroxybut-1-enyl]-1,3-thiazole-4-carboxamide

C8H10N2O3S — CID 77050763

IUPAC2-[(E,3S)-3,4-dihydroxybut-1-enyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(/C=C/[C@H](O)CO)n1
InChIInChI=1S/C8H10N2O3S/c9-8(13)6-4-14-7(10-6)2-1-5(12)3-11/h1-2,4-5,11-12H,3H2,(H2,9,13)/b2-1+/t5-/m0/s1
InChIKeyJPXCLAVHRWPZLD-WYPBCBNTSA-N
MW214.25 g/mol
LogP-0.39
Rot. Bonds4

About 2-[(E,3S)-3,4-dihydroxybut-1-enyl]-1,3-thiazole-4-carboxamide

2-[(E,3S)-3,4-dihydroxybut-1-enyl]-1,3-thiazole-4-carboxamide (PubChem CID 77050763) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-[(E,3S)-3,4-dihydroxybut-1-enyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(E,3S)-3,4-dihydroxybut-1-enyl]-1,3-thiazole-4-carboxamide
PubChem CID77050763
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-[(E,3S)-3,4-dihydroxybut-1-enyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(/C=C/[C@H](O)CO)n1
InChIInChI=1S/C8H10N2O3S/c9-8(13)6-4-14-7(10-6)2-1-5(12)3-11/h1-2,4-5,11-12H,3H2,(H2,9,13)/b2-1+/t5-/m0/s1
InChIKeyJPXCLAVHRWPZLD-WYPBCBNTSA-N
XLogP-0.39
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(E,3S)-3,4-dihydroxybut-1-enyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(E,3S)-3,4-dihydroxybut-1-enyl]-1,3-thiazole-4-carboxamide (CID 77050763) is 2-[(E,3S)-3,4-dihydroxybut-1-enyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(E,3S)-3,4-dihydroxybut-1-enyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(E,3S)-3,4-dihydroxybut-1-enyl]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(/C=C/[C@H](O)CO)n1.
What is the InChIKey of 2-[(E,3S)-3,4-dihydroxybut-1-enyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JPXCLAVHRWPZLD-WYPBCBNTSA-N. The full InChI is InChI=1S/C8H10N2O3S/c9-8(13)6-4-14-7(10-6)2-1-5(12)3-11/h1-2,4-5,11-12H,3H2,(H2,9,13)/b2-1+/t5-/m0/s1.
What are the key properties of 2-[(E,3S)-3,4-dihydroxybut-1-enyl]-1,3-thiazole-4-carboxamide?
2-[(E,3S)-3,4-dihydroxybut-1-enyl]-1,3-thiazole-4-carboxamide has a molecular weight of 214.25 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E,3S)-3,4-dihydroxybut-1-enyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 77050763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).