5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine

C10H11N3O2S — CID 2049330

IUPAC5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(OC)c(-c2nnc(N)s2)c1
InChIInChI=1S/C10H11N3O2S/c1-14-6-3-4-8(15-2)7(5-6)9-12-13-10(11)16-9/h3-5H,1-2H3,(H2,11,13)
InChIKeyXYTWIGZBIMXQOD-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.80
Rot. Bonds3

About 5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine

5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 2049330) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID2049330
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(OC)c(-c2nnc(N)s2)c1
InChIInChI=1S/C10H11N3O2S/c1-14-6-3-4-8(15-2)7(5-6)9-12-13-10(11)16-9/h3-5H,1-2H3,(H2,11,13)
InChIKeyXYTWIGZBIMXQOD-UHFFFAOYSA-N
XLogP1.80
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
5-(2-Methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 748318
2-methylpropyl [(2E)-5-(2-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
CID 665124
N-ethyl-5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 2174397
5-(4-Butoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 659660
N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester
CID 1385839
5-(4-Ethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 792657
5-(3-Methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 819785
5-(2,3-Dimethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 4366058
5-(4-Propoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 659528
5-(3-Butoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 659709
5-(3-Propoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 659918

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine (CID 2049330) is 5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine is COc1ccc(OC)c(-c2nnc(N)s2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is XYTWIGZBIMXQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-14-6-3-4-8(15-2)7(5-6)9-12-13-10(11)16-9/h3-5H,1-2H3,(H2,11,13).
What are the key properties of 5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine?
5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 237.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2049330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).