4-(cyclobutylmethyl)-1,3-thiazole;formohydrazide

C9H15N3OS — CID 174863680

IUPAC4-(cyclobutylmethyl)-1,3-thiazole;formohydrazide
SMILESNNC=O.c1nc(CC2CCC2)cs1
InChIInChI=1S/C8H11NS.CH4N2O/c1-2-7(3-1)4-8-5-10-6-9-8;2-3-1-4/h5-7H,1-4H2;1H,2H2,(H,3,4)
InChIKeyXKDJTHBABXXTDN-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.09
Rot. Bonds3

About 4-(cyclobutylmethyl)-1,3-thiazole;formohydrazide

4-(cyclobutylmethyl)-1,3-thiazole;formohydrazide (PubChem CID 174863680) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)-1,3-thiazole;formohydrazide.

Molecular Properties

Compound Name4-(cyclobutylmethyl)-1,3-thiazole;formohydrazide
PubChem CID174863680
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name4-(cyclobutylmethyl)-1,3-thiazole;formohydrazide
SMILESNNC=O.c1nc(CC2CCC2)cs1
InChIInChI=1S/C8H11NS.CH4N2O/c1-2-7(3-1)4-8-5-10-6-9-8;2-3-1-4/h5-7H,1-4H2;1H,2H2,(H,3,4)
InChIKeyXKDJTHBABXXTDN-UHFFFAOYSA-N
XLogP1.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopentylmethyl)-1,3-thiazole
CID 174863673
2-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine
CID 83484853
N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63830953
1-(cyclobutylmethyl)-3-(1,3-thiazol-4-ylmethyl)urea
CID 49481828
4-ethyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine
CID 65088346
1-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexane-1,3-diamine
CID 79458882
3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115639498
N-(1,3-thiazol-4-ylmethyl)cyclooctanamine
CID 60687158
2-(4-aminopiperidin-1-yl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 79328654
1,3-thiazol-4-ylmethylhydrazine;dihydrochloride
CID 133057420
3-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one
CID 104679273
(2S)-N-(cyclopropylmethyl)-2-[[(2S)-2-formamido-3-(1,3-thiazol-4-yl)propyl]amino]propanamide
CID 143406193

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethyl)-1,3-thiazole;formohydrazide?
The IUPAC name of 4-(cyclobutylmethyl)-1,3-thiazole;formohydrazide (CID 174863680) is 4-(cyclobutylmethyl)-1,3-thiazole;formohydrazide.
What is the SMILES notation for 4-(cyclobutylmethyl)-1,3-thiazole;formohydrazide?
The canonical SMILES for 4-(cyclobutylmethyl)-1,3-thiazole;formohydrazide is NNC=O.c1nc(CC2CCC2)cs1.
What is the InChIKey of 4-(cyclobutylmethyl)-1,3-thiazole;formohydrazide?
The InChIKey is XKDJTHBABXXTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS.CH4N2O/c1-2-7(3-1)4-8-5-10-6-9-8;2-3-1-4/h5-7H,1-4H2;1H,2H2,(H,3,4).
What are the key properties of 4-(cyclobutylmethyl)-1,3-thiazole;formohydrazide?
4-(cyclobutylmethyl)-1,3-thiazole;formohydrazide has a molecular weight of 213.31 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethyl)-1,3-thiazole;formohydrazide is sourced from PubChem (CID 174863680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).