5-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1,3,4-thiadiazol-2-amine

C12H13ClN4O3S2 — CID 8009164

IUPAC5-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C12H13ClN4O3S2/c13-9-2-1-8(11-15-16-12(14)21-11)7-10(9)22(18,19)17-3-5-20-6-4-17/h1-2,7H,3-6H2,(H2,14,16)
InChIKeyRZSWYHHDHAGIHO-UHFFFAOYSA-N
MW360.85 g/mol
LogP1.46
Rot. Bonds3

About 5-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1,3,4-thiadiazol-2-amine

5-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 8009164) has the molecular formula C12H13ClN4O3S2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 5-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID8009164
Molecular FormulaC12H13ClN4O3S2
Molecular Weight360.85 g/mol
Exact Mass360.01
IUPAC Name5-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C12H13ClN4O3S2/c13-9-2-1-8(11-15-16-12(14)21-11)7-10(9)22(18,19)17-3-5-20-6-4-17/h1-2,7H,3-6H2,(H2,14,16)
InChIKeyRZSWYHHDHAGIHO-UHFFFAOYSA-N
XLogP1.46
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine
CID 163403555
5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline
CID 1161043
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
4-chloro-2-(1,4-oxazepan-4-ylsulfonyl)aniline
CID 62987073
(2-amino-2-oxoethyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 7667130
4-[6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 121053132
4-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]sulfonylmorpholine
CID 1252182
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 4597385
4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide
CID 1092795
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1,3,4-thiadiazol-2-amine (CID 8009164) is 5-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)s1.
What is the InChIKey of 5-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is RZSWYHHDHAGIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O3S2/c13-9-2-1-8(11-15-16-12(14)21-11)7-10(9)22(18,19)17-3-5-20-6-4-17/h1-2,7H,3-6H2,(H2,14,16).
What are the key properties of 5-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1,3,4-thiadiazol-2-amine?
5-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 360.85 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 8009164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).