5-(3-amino-4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C10H11ClN4S — CID 82482135

IUPAC5-(3-amino-4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(-c2ccc(Cl)c(N)c2)s1
InChIInChI=1S/C10H11ClN4S/c1-15(2)10-14-13-9(16-10)6-3-4-7(11)8(12)5-6/h3-5H,12H2,1-2H3
InChIKeyLGOGNLVJBPSSNI-UHFFFAOYSA-N
MW254.75 g/mol
LogP2.51
Rot. Bonds2

About 5-(3-amino-4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-(3-amino-4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 82482135) has the molecular formula C10H11ClN4S and a molecular weight of 254.75 g/mol. Its IUPAC name is 5-(3-amino-4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-amino-4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID82482135
Molecular FormulaC10H11ClN4S
Molecular Weight254.75 g/mol
Exact Mass254.04
IUPAC Name5-(3-amino-4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(-c2ccc(Cl)c(N)c2)s1
InChIInChI=1S/C10H11ClN4S/c1-15(2)10-14-13-9(16-10)6-3-4-7(11)8(12)5-6/h3-5H,12H2,1-2H3
InChIKeyLGOGNLVJBPSSNI-UHFFFAOYSA-N
XLogP2.51
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.75
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(2-chloro-4-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 135396830
5-(6-chloro-3-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 135396917
N,N-dimethyl-5-[4-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine
CID 82476029
1-[5-(3-bromo-4-chlorophenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 107995047
2-chloro-5-(7-chloro-1,3-benzothiazol-2-yl)aniline
CID 43306332
2-(3-amino-4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 82545832
5-(6-bromo-4,5-dimethyl-1,3-benzothiazol-2-yl)-2-chloroaniline
CID 132593424
2-[5-(4-chloro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 82360112
2-chloro-5-(8-methyl-[1,3]dioxolo[4,5-g]phthalazin-5-yl)aniline
CID 18793978
4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]benzene-1,2-diamine
CID 20564387
2-chloro-5-(4-ethylphenyl)aniline
CID 62909757
5-[2-(2-aminophenyl)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 82480391

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-amino-4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 82482135) is 5-(3-amino-4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-amino-4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-amino-4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(-c2ccc(Cl)c(N)c2)s1.
What is the InChIKey of 5-(3-amino-4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is LGOGNLVJBPSSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4S/c1-15(2)10-14-13-9(16-10)6-3-4-7(11)8(12)5-6/h3-5H,12H2,1-2H3.
What are the key properties of 5-(3-amino-4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(3-amino-4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 254.75 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82482135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).