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

C14H14N4S2 — CID 2877641

IUPAC4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine
SMILESCc1nc(C)c(-c2csc(Nc3ccc(N)cc3)n2)s1
InChIInChI=1S/C14H14N4S2/c1-8-13(20-9(2)16-8)12-7-19-14(18-12)17-11-5-3-10(15)4-6-11/h3-7H,15H2,1-2H3,(H,17,18)
InChIKeyCGGSMMZRQWQUJE-UHFFFAOYSA-N
MW302.43 g/mol
LogP4.21
Rot. Bonds3

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

4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine (PubChem CID 2877641) has the molecular formula C14H14N4S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine
PubChem CID2877641
Molecular FormulaC14H14N4S2
Molecular Weight302.43 g/mol
Exact Mass302.07
IUPAC Name4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine
SMILESCc1nc(C)c(-c2csc(Nc3ccc(N)cc3)n2)s1
InChIInChI=1S/C14H14N4S2/c1-8-13(20-9(2)16-8)12-7-19-14(18-12)17-11-5-3-10(15)4-6-11/h3-7H,15H2,1-2H3,(H,17,18)
InChIKeyCGGSMMZRQWQUJE-UHFFFAOYSA-N
XLogP4.21
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
The IUPAC name of 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine (CID 2877641) is 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine is Cc1nc(C)c(-c2csc(Nc3ccc(N)cc3)n2)s1.
What is the InChIKey of 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
The InChIKey is CGGSMMZRQWQUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S2/c1-8-13(20-9(2)16-8)12-7-19-14(18-12)17-11-5-3-10(15)4-6-11/h3-7H,15H2,1-2H3,(H,17,18).
What are the key properties of 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine has a molecular weight of 302.43 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine is sourced from PubChem (CID 2877641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).