1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

C16H18N4S2 — CID 2843758

IUPAC1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCc1nc(C)c(-c2csc(Nc3ccc(N(C)C)cc3)n2)s1
InChIInChI=1S/C16H18N4S2/c1-10-15(22-11(2)17-10)14-9-21-16(19-14)18-12-5-7-13(8-6-12)20(3)4/h5-9H,1-4H3,(H,18,19)
InChIKeyVBIOMAOCBUWKTJ-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.69
Rot. Bonds4

About 1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 2843758) has the molecular formula C16H18N4S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID2843758
Molecular FormulaC16H18N4S2
Molecular Weight330.48 g/mol
Exact Mass330.10
IUPAC Name1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCc1nc(C)c(-c2csc(Nc3ccc(N(C)C)cc3)n2)s1
InChIInChI=1S/C16H18N4S2/c1-10-15(22-11(2)17-10)14-9-21-16(19-14)18-12-5-7-13(8-6-12)20(3)4/h5-9H,1-4H3,(H,18,19)
InChIKeyVBIOMAOCBUWKTJ-UHFFFAOYSA-N
XLogP4.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 2843758) is 1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is Cc1nc(C)c(-c2csc(Nc3ccc(N(C)C)cc3)n2)s1.
What is the InChIKey of 1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is VBIOMAOCBUWKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S2/c1-10-15(22-11(2)17-10)14-9-21-16(19-14)18-12-5-7-13(8-6-12)20(3)4/h5-9H,1-4H3,(H,18,19).
What are the key properties of 1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 330.48 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 2843758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).