4-cyclobutyl-1,3-thiazole-2-carboxamide

C8H10N2OS — CID 116967982

IUPAC4-cyclobutyl-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1nc(C2CCC2)cs1
InChIInChI=1S/C8H10N2OS/c9-7(11)8-10-6(4-12-8)5-2-1-3-5/h4-5H,1-3H2,(H2,9,11)
InChIKeyZRUZMQNHUXVEJA-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.51
Rot. Bonds2

About 4-cyclobutyl-1,3-thiazole-2-carboxamide

4-cyclobutyl-1,3-thiazole-2-carboxamide (PubChem CID 116967982) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 4-cyclobutyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-cyclobutyl-1,3-thiazole-2-carboxamide
PubChem CID116967982
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name4-cyclobutyl-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1nc(C2CCC2)cs1
InChIInChI=1S/C8H10N2OS/c9-7(11)8-10-6(4-12-8)5-2-1-3-5/h4-5H,1-3H2,(H2,9,11)
InChIKeyZRUZMQNHUXVEJA-UHFFFAOYSA-N
XLogP1.51
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclobutyl-1,3-thiazole-2-carboxylic acid
CID 86646410
4-cyclopropyl-1,3-thiazole-2-carboxylic acid
CID 51063804
CID 68792488
CID 68792488
2,4-di(cyclobutyl)-1,3-thiazole
CID 130688661
2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanethioamide
CID 116868749
2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile
CID 116966310
3-[2-(cyclobutanecarbonyl)-1,3-thiazol-4-yl]piperidine-1-carbaldehyde
CID 144789318
ethyl 4-[(3R)-piperidin-3-yl]-1,3-thiazole-2-carboxylate
CID 96839534
(E)-3-(4-cyclopentyl-1,3-thiazol-2-yl)prop-2-enoic acid
CID 116868057
2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole
CID 116965575
methyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate
CID 116966375
2-(bromomethyl)-4-cyclopentyl-1,3-thiazole
CID 116970375

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-cyclobutyl-1,3-thiazole-2-carboxamide (CID 116967982) is 4-cyclobutyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-cyclobutyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-cyclobutyl-1,3-thiazole-2-carboxamide is NC(=O)c1nc(C2CCC2)cs1.
What is the InChIKey of 4-cyclobutyl-1,3-thiazole-2-carboxamide?
The InChIKey is ZRUZMQNHUXVEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c9-7(11)8-10-6(4-12-8)5-2-1-3-5/h4-5H,1-3H2,(H2,9,11).
What are the key properties of 4-cyclobutyl-1,3-thiazole-2-carboxamide?
4-cyclobutyl-1,3-thiazole-2-carboxamide has a molecular weight of 182.25 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 116967982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).