(2-chlorophenyl)-(thiadiazol-5-yl)methanamine

C9H8ClN3S — CID 105099805

IUPAC(2-chlorophenyl)-(thiadiazol-5-yl)methanamine
SMILESNC(c1cnns1)c1ccccc1Cl
InChIInChI=1S/C9H8ClN3S/c10-7-4-2-1-3-6(7)9(11)8-5-12-13-14-8/h1-5,9H,11H2
InChIKeyADTLQJKRZVKYCR-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.24
Rot. Bonds2

About (2-chlorophenyl)-(thiadiazol-5-yl)methanamine

(2-chlorophenyl)-(thiadiazol-5-yl)methanamine (PubChem CID 105099805) has the molecular formula C9H8ClN3S and a molecular weight of 225.70 g/mol. Its IUPAC name is (2-chlorophenyl)-(thiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-chlorophenyl)-(thiadiazol-5-yl)methanamine
PubChem CID105099805
Molecular FormulaC9H8ClN3S
Molecular Weight225.70 g/mol
Exact Mass225.01
IUPAC Name(2-chlorophenyl)-(thiadiazol-5-yl)methanamine
SMILESNC(c1cnns1)c1ccccc1Cl
InChIInChI=1S/C9H8ClN3S/c10-7-4-2-1-3-6(7)9(11)8-5-12-13-14-8/h1-5,9H,11H2
InChIKeyADTLQJKRZVKYCR-UHFFFAOYSA-N
XLogP2.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-(5-methylthiophen-2-yl)methanamine
CID 43198024
2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine
CID 102866724
1-benzothiophen-2-yl-(2-chlorophenyl)methanamine
CID 70818866
(2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114687461
(2-chlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105099807
(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine
CID 62945856
(2-chlorophenyl)-(4-iodophenyl)methanamine
CID 115800922
(2-chlorophenyl)-(2-phenyltriazol-4-yl)methanamine
CID 105099586
(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 115801340
2,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine
CID 105146034
(2-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708099
(2-chlorophenyl)-quinolin-4-ylmethanamine
CID 105099870

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(thiadiazol-5-yl)methanamine?
The IUPAC name of (2-chlorophenyl)-(thiadiazol-5-yl)methanamine (CID 105099805) is (2-chlorophenyl)-(thiadiazol-5-yl)methanamine.
What is the SMILES notation for (2-chlorophenyl)-(thiadiazol-5-yl)methanamine?
The canonical SMILES for (2-chlorophenyl)-(thiadiazol-5-yl)methanamine is NC(c1cnns1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(thiadiazol-5-yl)methanamine?
The InChIKey is ADTLQJKRZVKYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S/c10-7-4-2-1-3-6(7)9(11)8-5-12-13-14-8/h1-5,9H,11H2.
What are the key properties of (2-chlorophenyl)-(thiadiazol-5-yl)methanamine?
(2-chlorophenyl)-(thiadiazol-5-yl)methanamine has a molecular weight of 225.70 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(thiadiazol-5-yl)methanamine is sourced from PubChem (CID 105099805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).