1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutane-1-carbaldehyde

C10H13NOS — CID 130712451

IUPAC1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutane-1-carbaldehyde
SMILESCc1nc(CC2(C=O)CCC2)cs1
InChIInChI=1S/C10H13NOS/c1-8-11-9(6-13-8)5-10(7-12)3-2-4-10/h6-7H,2-5H2,1H3
InChIKeyDUJUSOCNPOFOMI-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.36
Rot. Bonds3

About 1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutane-1-carbaldehyde

1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutane-1-carbaldehyde (PubChem CID 130712451) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutane-1-carbaldehyde
PubChem CID130712451
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutane-1-carbaldehyde
SMILESCc1nc(CC2(C=O)CCC2)cs1
InChIInChI=1S/C10H13NOS/c1-8-11-9(6-13-8)5-10(7-12)3-2-4-10/h6-7H,2-5H2,1H3
InChIKeyDUJUSOCNPOFOMI-UHFFFAOYSA-N
XLogP2.36
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methanol
CID 66024342
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024019
2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 131162805
1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbaldehyde
CID 131054121
1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621582
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
[3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methanol
CID 66058593
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 115435527
[3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutyl]methanamine
CID 164652953
1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 80602505
2-[1-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
CID 79848391
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiolan-2-yl)ethanol
CID 105106780

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutane-1-carbaldehyde?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutane-1-carbaldehyde (CID 130712451) is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutane-1-carbaldehyde.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutane-1-carbaldehyde?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutane-1-carbaldehyde is Cc1nc(CC2(C=O)CCC2)cs1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutane-1-carbaldehyde?
The InChIKey is DUJUSOCNPOFOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-8-11-9(6-13-8)5-10(7-12)3-2-4-10/h6-7H,2-5H2,1H3.
What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutane-1-carbaldehyde?
1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutane-1-carbaldehyde has a molecular weight of 195.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutane-1-carbaldehyde is sourced from PubChem (CID 130712451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).