4-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine

C12H15N3S — CID 82059189

IUPAC4-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
SMILESCC(C)c1csc(Nc2ccc(N)cc2)n1
InChIInChI=1S/C12H15N3S/c1-8(2)11-7-16-12(15-11)14-10-5-3-9(13)4-6-10/h3-8H,13H2,1-2H3,(H,14,15)
InChIKeyKGWMIBFZGQENAL-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.59
Rot. Bonds3

About 4-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine

4-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine (PubChem CID 82059189) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
PubChem CID82059189
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name4-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
SMILESCC(C)c1csc(Nc2ccc(N)cc2)n1
InChIInChI=1S/C12H15N3S/c1-8(2)11-7-16-12(15-11)14-10-5-3-9(13)4-6-10/h3-8H,13H2,1-2H3,(H,14,15)
InChIKeyKGWMIBFZGQENAL-UHFFFAOYSA-N
XLogP3.59
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059232
4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 1075886
3-amino-4-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]benzamide
CID 61480562
4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine bromide
CID 53346790
1-(4-aminophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 115913568
4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine
CID 82028311
4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 118708820
4-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 82059186
4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 25101048
2-amino-2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid
CID 104527370
4-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 25101049
5-amino-2-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61479670

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine (CID 82059189) is 4-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine is CC(C)c1csc(Nc2ccc(N)cc2)n1.
What is the InChIKey of 4-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine?
The InChIKey is KGWMIBFZGQENAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-8(2)11-7-16-12(15-11)14-10-5-3-9(13)4-6-10/h3-8H,13H2,1-2H3,(H,14,15).
What are the key properties of 4-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine?
4-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine has a molecular weight of 233.34 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 82059189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).