5-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylthiadiazole

C10H6ClN3S3 — CID 2809436

IUPAC5-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylthiadiazole
SMILESCc1nnsc1-c1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C10H6ClN3S3/c1-5-9(17-14-13-5)10-12-6(4-15-10)7-2-3-8(11)16-7/h2-4H,1H3
InChIKeyCIJYIIJTDACLKI-UHFFFAOYSA-N
MW299.83 g/mol
LogP4.35
Rot. Bonds2

About 5-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylthiadiazole

5-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylthiadiazole (PubChem CID 2809436) has the molecular formula C10H6ClN3S3 and a molecular weight of 299.83 g/mol. Its IUPAC name is 5-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylthiadiazole.

Molecular Properties

Compound Name5-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylthiadiazole
PubChem CID2809436
Molecular FormulaC10H6ClN3S3
Molecular Weight299.83 g/mol
Exact Mass298.94
IUPAC Name5-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylthiadiazole
SMILESCc1nnsc1-c1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C10H6ClN3S3/c1-5-9(17-14-13-5)10-12-6(4-15-10)7-2-3-8(11)16-7/h2-4H,1H3
InChIKeyCIJYIIJTDACLKI-UHFFFAOYSA-N
XLogP4.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.83
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylthiadiazole?
The IUPAC name of 5-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylthiadiazole (CID 2809436) is 5-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylthiadiazole.
What is the SMILES notation for 5-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylthiadiazole?
The canonical SMILES for 5-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylthiadiazole is Cc1nnsc1-c1nc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of 5-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylthiadiazole?
The InChIKey is CIJYIIJTDACLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3S3/c1-5-9(17-14-13-5)10-12-6(4-15-10)7-2-3-8(11)16-7/h2-4H,1H3.
What are the key properties of 5-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylthiadiazole?
5-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylthiadiazole has a molecular weight of 299.83 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylthiadiazole is sourced from PubChem (CID 2809436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).