5-(cyclopent-3-en-1-ylmethyl)-2-methoxy-1,3-thiazole

C10H13NOS — CID 164652619

IUPAC5-(cyclopent-3-en-1-ylmethyl)-2-methoxy-1,3-thiazole
SMILESCOc1ncc(CC2CC=CC2)s1
InChIInChI=1S/C10H13NOS/c1-12-10-11-7-9(13-10)6-8-4-2-3-5-8/h2-3,7-8H,4-6H2,1H3
InChIKeyJDMIAYMQKCWMQO-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.66
Rot. Bonds3

About 5-(cyclopent-3-en-1-ylmethyl)-2-methoxy-1,3-thiazole

5-(cyclopent-3-en-1-ylmethyl)-2-methoxy-1,3-thiazole (PubChem CID 164652619) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 5-(cyclopent-3-en-1-ylmethyl)-2-methoxy-1,3-thiazole.

Molecular Properties

Compound Name5-(cyclopent-3-en-1-ylmethyl)-2-methoxy-1,3-thiazole
PubChem CID164652619
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name5-(cyclopent-3-en-1-ylmethyl)-2-methoxy-1,3-thiazole
SMILESCOc1ncc(CC2CC=CC2)s1
InChIInChI=1S/C10H13NOS/c1-12-10-11-7-9(13-10)6-8-4-2-3-5-8/h2-3,7-8H,4-6H2,1H3
InChIKeyJDMIAYMQKCWMQO-UHFFFAOYSA-N
XLogP2.66
TPSA22.12 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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxy-1,3-thiazol-5-yl)ethanol
CID 83674256
5-(2-chloroethyl)-2-methoxy-1,3-thiazole
CID 130590548
N-[(2-methoxy-1,3-thiazol-5-yl)methyl]-N-methylhydroxylamine
CID 82598709
5-(3-bromopropyl)-2-methoxy-1,3-thiazole
CID 130593249
2-methoxy-5-methyl-1,3-thiazole
CID 12743061
2-[[1-[(2-methoxy-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]benzoic acid
CID 167791758
2-methoxy-1,3-thiazol-5-ol
CID 130658802
2-(2-methoxy-1,3-thiazol-5-yl)cyclopentan-1-ol
CID 130593198
1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 129397890
1-(2-methoxy-1,3-thiazol-5-yl)propan-1-amine
CID 130593121
5-(3,3-dimethylazetidin-2-yl)-2-methoxy-1,3-thiazole
CID 130590598
2-bromo-5-(2-methoxyethyl)-1,3-thiazole
CID 117259730

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopent-3-en-1-ylmethyl)-2-methoxy-1,3-thiazole?
The IUPAC name of 5-(cyclopent-3-en-1-ylmethyl)-2-methoxy-1,3-thiazole (CID 164652619) is 5-(cyclopent-3-en-1-ylmethyl)-2-methoxy-1,3-thiazole.
What is the SMILES notation for 5-(cyclopent-3-en-1-ylmethyl)-2-methoxy-1,3-thiazole?
The canonical SMILES for 5-(cyclopent-3-en-1-ylmethyl)-2-methoxy-1,3-thiazole is COc1ncc(CC2CC=CC2)s1.
What is the InChIKey of 5-(cyclopent-3-en-1-ylmethyl)-2-methoxy-1,3-thiazole?
The InChIKey is JDMIAYMQKCWMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-12-10-11-7-9(13-10)6-8-4-2-3-5-8/h2-3,7-8H,4-6H2,1H3.
What are the key properties of 5-(cyclopent-3-en-1-ylmethyl)-2-methoxy-1,3-thiazole?
5-(cyclopent-3-en-1-ylmethyl)-2-methoxy-1,3-thiazole has a molecular weight of 195.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopent-3-en-1-ylmethyl)-2-methoxy-1,3-thiazole is sourced from PubChem (CID 164652619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).