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

C15H17N5S2 — CID 704982

IUPAC1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCc1nc(N)sc1-c1csc(Nc2ccc(N(C)C)cc2)n1
InChIInChI=1S/C15H17N5S2/c1-9-13(22-14(16)17-9)12-8-21-15(19-12)18-10-4-6-11(7-5-10)20(2)3/h4-8H,1-3H3,(H2,16,17)(H,18,19)
InChIKeyAXLQBSBVVDAWDD-UHFFFAOYSA-N
MW331.47 g/mol
LogP3.97
Rot. Bonds4

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

1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 704982) has the molecular formula C15H17N5S2 and a molecular weight of 331.47 g/mol. Its IUPAC name is 1-N-[4-(2-amino-4-methyl-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-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID704982
Molecular FormulaC15H17N5S2
Molecular Weight331.47 g/mol
Exact Mass331.09
IUPAC Name1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCc1nc(N)sc1-c1csc(Nc2ccc(N(C)C)cc2)n1
InChIInChI=1S/C15H17N5S2/c1-9-13(22-14(16)17-9)12-8-21-15(19-12)18-10-4-6-11(7-5-10)20(2)3/h4-8H,1-3H3,(H2,16,17)(H,18,19)
InChIKeyAXLQBSBVVDAWDD-UHFFFAOYSA-N
XLogP3.97
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'thiazole_amine_A(4)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(2-amino-4-methyl-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-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 704982) is 1-N-[4-(2-amino-4-methyl-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-amino-4-methyl-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-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is Cc1nc(N)sc1-c1csc(Nc2ccc(N(C)C)cc2)n1.
What is the InChIKey of 1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is AXLQBSBVVDAWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S2/c1-9-13(22-14(16)17-9)12-8-21-15(19-12)18-10-4-6-11(7-5-10)20(2)3/h4-8H,1-3H3,(H2,16,17)(H,18,19).
What are the key properties of 1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 331.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 704982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).