N,N-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]aniline

C12H14N4S — CID 87732651

IUPACN,N-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]aniline
SMILESCc1cnc(/N=N/c2ccc(N(C)C)cc2)s1
InChIInChI=1S/C12H14N4S/c1-9-8-13-12(17-9)15-14-10-4-6-11(7-5-10)16(2)3/h4-8H,1-3H3/b15-14+
InChIKeyYSGMANWQHBFOGY-CCEZHUSRSA-N
MW246.34 g/mol
LogP3.93
Rot. Bonds3

About N,N-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]aniline

N,N-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]aniline (PubChem CID 87732651) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is N,N-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]aniline
PubChem CID87732651
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC NameN,N-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]aniline
SMILESCc1cnc(/N=N/c2ccc(N(C)C)cc2)s1
InChIInChI=1S/C12H14N4S/c1-9-8-13-12(17-9)15-14-10-4-6-11(7-5-10)16(2)3/h4-8H,1-3H3/b15-14+
InChIKeyYSGMANWQHBFOGY-CCEZHUSRSA-N
XLogP3.93
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]aniline (CID 87732651) is N,N-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]aniline is Cc1cnc(/N=N/c2ccc(N(C)C)cc2)s1.
What is the InChIKey of N,N-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]aniline?
The InChIKey is YSGMANWQHBFOGY-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H14N4S/c1-9-8-13-12(17-9)15-14-10-4-6-11(7-5-10)16(2)3/h4-8H,1-3H3/b15-14+.
What are the key properties of N,N-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]aniline?
N,N-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]aniline has a molecular weight of 246.34 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]aniline is sourced from PubChem (CID 87732651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).