5-thiophen-2-yl-4,5-dihydro-1,2-thiazole

C7H7NS2 — CID 140995680

IUPAC5-thiophen-2-yl-4,5-dihydro-1,2-thiazole
SMILESC1=NSC(c2cccs2)C1
InChIInChI=1S/C7H7NS2/c1-2-6(9-5-1)7-3-4-8-10-7/h1-2,4-5,7H,3H2
InChIKeyCNMHZEVGZKKELQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.91
Rot. Bonds1

About 5-thiophen-2-yl-4,5-dihydro-1,2-thiazole

5-thiophen-2-yl-4,5-dihydro-1,2-thiazole (PubChem CID 140995680) has the molecular formula C7H7NS2 and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-thiophen-2-yl-4,5-dihydro-1,2-thiazole.

Molecular Properties

Compound Name5-thiophen-2-yl-4,5-dihydro-1,2-thiazole
PubChem CID140995680
Molecular FormulaC7H7NS2
Molecular Weight169.27 g/mol
Exact Mass169.00
IUPAC Name5-thiophen-2-yl-4,5-dihydro-1,2-thiazole
SMILESC1=NSC(c2cccs2)C1
InChIInChI=1S/C7H7NS2/c1-2-6(9-5-1)7-3-4-8-10-7/h1-2,4-5,7H,3H2
InChIKeyCNMHZEVGZKKELQ-UHFFFAOYSA-N
XLogP2.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 148641519
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CID 14249568
(2S)-2-thiophen-2-ylaziridine
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cis-(1R,2S)-2-thiophen-2-ylcyclopropan-1-amine
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2-(2,2-difluorocyclopropyl)thiophene
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2-thiophen-2-yl-2,3,4,5-tetrahydropyridine
CID 59499364
3-thiophen-2-yl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine
CID 82376670
1,4-dithiophen-2-yl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-3,6-dione
CID 77153151
2-thiophen-2-yloxan-3-amine
CID 79365694
3-phenyl-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole
CID 161145249
3-phenyl-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 4738375
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CID 125493506

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-4,5-dihydro-1,2-thiazole?
The IUPAC name of 5-thiophen-2-yl-4,5-dihydro-1,2-thiazole (CID 140995680) is 5-thiophen-2-yl-4,5-dihydro-1,2-thiazole.
What is the SMILES notation for 5-thiophen-2-yl-4,5-dihydro-1,2-thiazole?
The canonical SMILES for 5-thiophen-2-yl-4,5-dihydro-1,2-thiazole is C1=NSC(c2cccs2)C1.
What is the InChIKey of 5-thiophen-2-yl-4,5-dihydro-1,2-thiazole?
The InChIKey is CNMHZEVGZKKELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS2/c1-2-6(9-5-1)7-3-4-8-10-7/h1-2,4-5,7H,3H2.
What are the key properties of 5-thiophen-2-yl-4,5-dihydro-1,2-thiazole?
5-thiophen-2-yl-4,5-dihydro-1,2-thiazole has a molecular weight of 169.27 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-4,5-dihydro-1,2-thiazole is sourced from PubChem (CID 140995680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).