N,N-dimethyl-5-[4-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine

C11H14N4S — CID 82476029

IUPACN,N-dimethyl-5-[4-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1ccc(-c2nnc(N(C)C)s2)cc1
InChIInChI=1S/C11H14N4S/c1-12-9-6-4-8(5-7-9)10-13-14-11(16-10)15(2)3/h4-7,12H,1-3H3
InChIKeyPNLDGXVYIIUIEB-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.31
Rot. Bonds3

About N,N-dimethyl-5-[4-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine

N,N-dimethyl-5-[4-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 82476029) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is N,N-dimethyl-5-[4-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[4-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine
PubChem CID82476029
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC NameN,N-dimethyl-5-[4-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1ccc(-c2nnc(N(C)C)s2)cc1
InChIInChI=1S/C11H14N4S/c1-12-9-6-4-8(5-7-9)10-13-14-11(16-10)15(2)3/h4-7,12H,1-3H3
InChIKeyPNLDGXVYIIUIEB-UHFFFAOYSA-N
XLogP2.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(6-chloro-3-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 135396917
5-(3-amino-4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 82482135
5-(2-chloro-4-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 135396830
1-N,4-N-dimethyl-4-N-[4-(methylamino)phenyl]benzene-1,4-diamine
CID 21331414
5-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 177128149
2,5-bis(4-methylphenyl)-1,3,4-thiadiazole
CID 12680531
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide
CID 108741998
1-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-N-methylcyclobutane-1,3-diamine
CID 154864845
5-(2-bromo-3-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 135395559
N-(furan-2-ylmethyl)-N'-[4-[5-(4-methoxy-N-methylanilino)-1,3,4-thiadiazol-2-yl]phenyl]oxamide
CID 42176214
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide
CID 1451547
N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-N-methylacetamide
CID 3231183

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[4-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[4-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine (CID 82476029) is N,N-dimethyl-5-[4-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[4-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[4-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine is CNc1ccc(-c2nnc(N(C)C)s2)cc1.
What is the InChIKey of N,N-dimethyl-5-[4-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is PNLDGXVYIIUIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-12-9-6-4-8(5-7-9)10-13-14-11(16-10)15(2)3/h4-7,12H,1-3H3.
What are the key properties of N,N-dimethyl-5-[4-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine?
N,N-dimethyl-5-[4-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 234.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[4-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82476029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).