(2-chlorophenyl)-(4-propylthiadiazol-5-yl)methanone

C12H11ClN2OS — CID 105081421

IUPAC(2-chlorophenyl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)c1ccccc1Cl
InChIInChI=1S/C12H11ClN2OS/c1-2-5-10-12(17-15-14-10)11(16)8-6-3-4-7-9(8)13/h3-4,6-7H,2,5H2,1H3
InChIKeyLLYRDUKRDXMBNB-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.38
Rot. Bonds4

About (2-chlorophenyl)-(4-propylthiadiazol-5-yl)methanone

(2-chlorophenyl)-(4-propylthiadiazol-5-yl)methanone (PubChem CID 105081421) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is (2-chlorophenyl)-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(4-propylthiadiazol-5-yl)methanone
PubChem CID105081421
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name(2-chlorophenyl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)c1ccccc1Cl
InChIInChI=1S/C12H11ClN2OS/c1-2-5-10-12(17-15-14-10)11(16)8-6-3-4-7-9(8)13/h3-4,6-7H,2,5H2,1H3
InChIKeyLLYRDUKRDXMBNB-UHFFFAOYSA-N
XLogP3.38
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylphenyl)-(4-propylthiadiazol-5-yl)methanone
CID 105080193
(4-propylthiadiazol-5-yl)-quinolin-5-ylmethanone
CID 105121084
(2-chloro-5-fluorophenyl)-(4-ethylthiadiazol-5-yl)methanone
CID 105396788
(4-propylthiadiazol-5-yl)-thiophen-3-ylmethanone
CID 105104983
(4-methoxy-2,5-dimethylphenyl)-(4-propylthiadiazol-5-yl)methanone
CID 105127206
(5-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanone
CID 105106059
cyclobutyl-(4-propylthiadiazol-5-yl)methanone
CID 105133689
(4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207991
N-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide
CID 107612541
3,4-dihydro-2H-pyran-6-yl-(4-propylthiadiazol-5-yl)methanone
CID 102648517
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-propylthiadiazole-5-carboxamide
CID 65207549
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-propylthiadiazol-5-yl)methanone
CID 105096105

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(4-propylthiadiazol-5-yl)methanone (CID 105081421) is (2-chlorophenyl)-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is LLYRDUKRDXMBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-2-5-10-12(17-15-14-10)11(16)8-6-3-4-7-9(8)13/h3-4,6-7H,2,5H2,1H3.
What are the key properties of (2-chlorophenyl)-(4-propylthiadiazol-5-yl)methanone?
(2-chlorophenyl)-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 266.75 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105081421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).