1-(1,3-thiazol-5-ylmethyl)cyclopropane-1-carbaldehyde

C8H9NOS — CID 130672635

IUPAC1-(1,3-thiazol-5-ylmethyl)cyclopropane-1-carbaldehyde
SMILESO=CC1(Cc2cncs2)CC1
InChIInChI=1S/C8H9NOS/c10-5-8(1-2-8)3-7-4-9-6-11-7/h4-6H,1-3H2
InChIKeyIVHOYRZLKGKVAT-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.66
Rot. Bonds3

About 1-(1,3-thiazol-5-ylmethyl)cyclopropane-1-carbaldehyde

1-(1,3-thiazol-5-ylmethyl)cyclopropane-1-carbaldehyde (PubChem CID 130672635) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-(1,3-thiazol-5-ylmethyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(1,3-thiazol-5-ylmethyl)cyclopropane-1-carbaldehyde
PubChem CID130672635
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name1-(1,3-thiazol-5-ylmethyl)cyclopropane-1-carbaldehyde
SMILESO=CC1(Cc2cncs2)CC1
InChIInChI=1S/C8H9NOS/c10-5-8(1-2-8)3-7-4-9-6-11-7/h4-6H,1-3H2
InChIKeyIVHOYRZLKGKVAT-UHFFFAOYSA-N
XLogP1.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.66
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-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine
CID 112642126
4-(1,3-thiazol-5-ylmethyl)oxan-4-ol
CID 112641803
1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbaldehyde
CID 131054121
5-[(4-fluoropiperidin-4-yl)methyl]-1,3-thiazole
CID 112645695
1-(pyridin-3-ylmethyl)cyclopropane-1-carbaldehyde
CID 131187567
3-(1,3-thiazol-5-ylmethyl)oxolan-3-ol
CID 112641806
[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanol
CID 112645220
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 112644091
1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642434
5-[(3-methylazetidin-3-yl)methyl]-1,3-thiazole
CID 112645456
1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine
CID 115732524
N-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide
CID 68850926

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-5-ylmethyl)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(1,3-thiazol-5-ylmethyl)cyclopropane-1-carbaldehyde (CID 130672635) is 1-(1,3-thiazol-5-ylmethyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(1,3-thiazol-5-ylmethyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(1,3-thiazol-5-ylmethyl)cyclopropane-1-carbaldehyde is O=CC1(Cc2cncs2)CC1.
What is the InChIKey of 1-(1,3-thiazol-5-ylmethyl)cyclopropane-1-carbaldehyde?
The InChIKey is IVHOYRZLKGKVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c10-5-8(1-2-8)3-7-4-9-6-11-7/h4-6H,1-3H2.
What are the key properties of 1-(1,3-thiazol-5-ylmethyl)cyclopropane-1-carbaldehyde?
1-(1,3-thiazol-5-ylmethyl)cyclopropane-1-carbaldehyde has a molecular weight of 167.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-5-ylmethyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 130672635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).