4-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide

C6H8N2O2S — CID 119087825

IUPAC4-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1nc(CCO)cs1
InChIInChI=1S/C6H8N2O2S/c7-5(10)6-8-4(1-2-9)3-11-6/h3,9H,1-2H2,(H2,7,10)
InChIKeyKFUQFCRTCLIXPZ-UHFFFAOYSA-N
MW172.21 g/mol
LogP-0.22
Rot. Bonds3

About 4-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide

4-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide (PubChem CID 119087825) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide
PubChem CID119087825
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name4-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1nc(CCO)cs1
InChIInChI=1S/C6H8N2O2S/c7-5(10)6-8-4(1-2-9)3-11-6/h3,9H,1-2H2,(H2,7,10)
InChIKeyKFUQFCRTCLIXPZ-UHFFFAOYSA-N
XLogP-0.22
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide (CID 119087825) is 4-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide is NC(=O)c1nc(CCO)cs1.
What is the InChIKey of 4-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is KFUQFCRTCLIXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c7-5(10)6-8-4(1-2-9)3-11-6/h3,9H,1-2H2,(H2,7,10).
What are the key properties of 4-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide?
4-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 172.21 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 119087825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).