N-(3-hydroxycyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide

C9H12N2O2S — CID 126815697

IUPACN-(3-hydroxycyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CC(O)C2)ns1
InChIInChI=1S/C9H12N2O2S/c1-5-2-8(11-14-5)9(13)10-6-3-7(12)4-6/h2,6-7,12H,3-4H2,1H3,(H,10,13)
InChIKeyGHBZYVVWXJURLV-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.70
Rot. Bonds2

About N-(3-hydroxycyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide

N-(3-hydroxycyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide (PubChem CID 126815697) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is N-(3-hydroxycyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxycyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide
PubChem CID126815697
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC NameN-(3-hydroxycyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CC(O)C2)ns1
InChIInChI=1S/C9H12N2O2S/c1-5-2-8(11-14-5)9(13)10-6-3-7(12)4-6/h2,6-7,12H,3-4H2,1H3,(H,10,13)
InChIKeyGHBZYVVWXJURLV-UHFFFAOYSA-N
XLogP0.70
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxycyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of N-(3-hydroxycyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide (CID 126815697) is N-(3-hydroxycyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-(3-hydroxycyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-(3-hydroxycyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide is Cc1cc(C(=O)NC2CC(O)C2)ns1.
What is the InChIKey of N-(3-hydroxycyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is GHBZYVVWXJURLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-5-2-8(11-14-5)9(13)10-6-3-7(12)4-6/h2,6-7,12H,3-4H2,1H3,(H,10,13).
What are the key properties of N-(3-hydroxycyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide?
N-(3-hydroxycyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide has a molecular weight of 212.27 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxycyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 126815697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).