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

C12H10N4S2 — CID 175739771

IUPAC2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine
SMILESNc1cccc(N)c1-c1nc(-c2nccs2)cs1
InChIInChI=1S/C12H10N4S2/c13-7-2-1-3-8(14)10(7)12-16-9(6-18-12)11-15-4-5-17-11/h1-6H,13-14H2
InChIKeyWLNJITZCPMJBDQ-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.10
Rot. Bonds2

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

2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine (PubChem CID 175739771) has the molecular formula C12H10N4S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine
PubChem CID175739771
Molecular FormulaC12H10N4S2
Molecular Weight274.37 g/mol
Exact Mass274.03
IUPAC Name2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine
SMILESNc1cccc(N)c1-c1nc(-c2nccs2)cs1
InChIInChI=1S/C12H10N4S2/c13-7-2-1-3-8(14)10(7)12-16-9(6-18-12)11-15-4-5-17-11/h1-6H,13-14H2
InChIKeyWLNJITZCPMJBDQ-UHFFFAOYSA-N
XLogP3.10
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]phenol
CID 64993453
2-bromo-4-(1,3-thiazol-2-yl)-1,3-thiazole
CID 22767721
1-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 64988732
[3-amino-2-(1,3-thiazol-2-yl)phenyl]methanesulfonic acid
CID 88725864
N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214642
N-phenyl-6-(1,3-thiazol-2-yl)-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]pyridin-2-amine
CID 140790959
1,1'-biphenyl;1,3-thiazol-2-amine
CID 162233332
benzene;1,3-thiazol-2-amine
CID 87932526
N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214674
2-[3-(1,3-thiazol-4-yl)-2H-1,3-thiazol-4-yl]-4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazole
CID 174420116
2-(2-methyl-6-phenylphenyl)-1,3-thiazole
CID 102473628
2-(6-ethoxy-2-pyridinyl)-1,3-thiazole
CID 56606761

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine?
The IUPAC name of 2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine (CID 175739771) is 2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine.
What is the SMILES notation for 2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine?
The canonical SMILES for 2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine is Nc1cccc(N)c1-c1nc(-c2nccs2)cs1.
What is the InChIKey of 2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine?
The InChIKey is WLNJITZCPMJBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S2/c13-7-2-1-3-8(14)10(7)12-16-9(6-18-12)11-15-4-5-17-11/h1-6H,13-14H2.
What are the key properties of 2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine?
2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine has a molecular weight of 274.37 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine is sourced from PubChem (CID 175739771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).