5-(4,5-dihydro-1,3-thiazol-5-yl)-1,3-thiazole

C6H6N2S2 — CID 146424213

IUPAC5-(4,5-dihydro-1,3-thiazol-5-yl)-1,3-thiazole
SMILESC1=NCC(c2cncs2)S1
InChIInChI=1S/C6H6N2S2/c1-5(9-3-7-1)6-2-8-4-10-6/h1,3-4,6H,2H2
InChIKeyFPEIUKXVPFLJGS-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.96
Rot. Bonds1

About 5-(4,5-dihydro-1,3-thiazol-5-yl)-1,3-thiazole

5-(4,5-dihydro-1,3-thiazol-5-yl)-1,3-thiazole (PubChem CID 146424213) has the molecular formula C6H6N2S2 and a molecular weight of 170.26 g/mol. Its IUPAC name is 5-(4,5-dihydro-1,3-thiazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(4,5-dihydro-1,3-thiazol-5-yl)-1,3-thiazole
PubChem CID146424213
Molecular FormulaC6H6N2S2
Molecular Weight170.26 g/mol
Exact Mass170.00
IUPAC Name5-(4,5-dihydro-1,3-thiazol-5-yl)-1,3-thiazole
SMILESC1=NCC(c2cncs2)S1
InChIInChI=1S/C6H6N2S2/c1-5(9-3-7-1)6-2-8-4-10-6/h1,3-4,6H,2H2
InChIKeyFPEIUKXVPFLJGS-UHFFFAOYSA-N
XLogP1.96
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 174691512
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5-[(3R)-piperidin-3-yl]-1,3-thiazole
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3-tert-butyl-4-(1,3-thiazol-5-yl)azetidin-2-one
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5-[(2R,4R)-4-chloropyrrolidin-2-yl]-1,3-thiazole
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2-methylimino-5-(1,3-thiazol-5-yl)imidazolidin-4-one
CID 136706809
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CID 82598222
N-methyl-1-[2-(1,3-thiazol-5-yl)cyclobutyl]methanamine
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trans-(1S,2S)-2-(1,3-thiazol-5-yl)cyclopropane-1-carbonyl azide
CID 90395362
1-methyl-5-(1,3-thiazol-5-yl)piperidin-3-amine
CID 82398619
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CID 164650985

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dihydro-1,3-thiazol-5-yl)-1,3-thiazole?
The IUPAC name of 5-(4,5-dihydro-1,3-thiazol-5-yl)-1,3-thiazole (CID 146424213) is 5-(4,5-dihydro-1,3-thiazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 5-(4,5-dihydro-1,3-thiazol-5-yl)-1,3-thiazole?
The canonical SMILES for 5-(4,5-dihydro-1,3-thiazol-5-yl)-1,3-thiazole is C1=NCC(c2cncs2)S1.
What is the InChIKey of 5-(4,5-dihydro-1,3-thiazol-5-yl)-1,3-thiazole?
The InChIKey is FPEIUKXVPFLJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2S2/c1-5(9-3-7-1)6-2-8-4-10-6/h1,3-4,6H,2H2.
What are the key properties of 5-(4,5-dihydro-1,3-thiazol-5-yl)-1,3-thiazole?
5-(4,5-dihydro-1,3-thiazol-5-yl)-1,3-thiazole has a molecular weight of 170.26 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dihydro-1,3-thiazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 146424213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).