N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-methyl-1,3,4-thiadiazol-2-amine

C12H15N5S — CID 6380909

IUPACN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N/N=C\c2ccc(N(C)C)cc2)s1
InChIInChI=1S/C12H15N5S/c1-9-14-16-12(18-9)15-13-8-10-4-6-11(7-5-10)17(2)3/h4-8H,1-3H3,(H,15,16)/b13-8-
InChIKeyYVKLNBLKZOQORS-JYRVWZFOSA-N
MW261.35 g/mol
LogP2.36
Rot. Bonds4

About N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-methyl-1,3,4-thiadiazol-2-amine

N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 6380909) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID6380909
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N/N=C\c2ccc(N(C)C)cc2)s1
InChIInChI=1S/C12H15N5S/c1-9-14-16-12(18-9)15-13-8-10-4-6-11(7-5-10)17(2)3/h4-8H,1-3H3,(H,15,16)/b13-8-
InChIKeyYVKLNBLKZOQORS-JYRVWZFOSA-N
XLogP2.36
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3295773
4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 7955579
4-[[(5-methyl-1,3,4-thiadiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 4639041
4-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide
CID 172885903
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 5230090
methyl N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanimidothioate
CID 53444656
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-methylthiophene-2-carboxamide
CID 5412074
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,2,4-triazol-3-amine
CID 21214266
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 21238347
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 3136073
4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 21240106
N-[[4-(dimethylamino)phenyl]methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 2314093

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-methyl-1,3,4-thiadiazol-2-amine (CID 6380909) is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(N/N=C\c2ccc(N(C)C)cc2)s1.
What is the InChIKey of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is YVKLNBLKZOQORS-JYRVWZFOSA-N. The full InChI is InChI=1S/C12H15N5S/c1-9-14-16-12(18-9)15-13-8-10-4-6-11(7-5-10)17(2)3/h4-8H,1-3H3,(H,15,16)/b13-8-.
What are the key properties of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 261.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 6380909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).