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

C14H13N3OS — CID 82059120

IUPAC4-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,4-diamine
SMILESCc1sc(Nc2ccc(N)cc2)nc1-c1ccco1
InChIInChI=1S/C14H13N3OS/c1-9-13(12-3-2-8-18-12)17-14(19-9)16-11-6-4-10(15)5-7-11/h2-8H,15H2,1H3,(H,16,17)
InChIKeyMTTLRWPNESXXRZ-UHFFFAOYSA-N
MW271.35 g/mol
LogP4.04
Rot. Bonds3

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

4-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,4-diamine (PubChem CID 82059120) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,4-diamine
PubChem CID82059120
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name4-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,4-diamine
SMILESCc1sc(Nc2ccc(N)cc2)nc1-c1ccco1
InChIInChI=1S/C14H13N3OS/c1-9-13(12-3-2-8-18-12)17-14(19-9)16-11-6-4-10(15)5-7-11/h2-8H,15H2,1H3,(H,16,17)
InChIKeyMTTLRWPNESXXRZ-UHFFFAOYSA-N
XLogP4.04
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-1-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine
CID 82059130
4-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]aniline
CID 55097440
4-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 53387372
[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]methanamine
CID 62633586
4-(furan-2-yl)-5-methyl-2-phenyl-1,3-thiazole
CID 114275041
4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059125
ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate
CID 62633596
N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 53387374
4-(furan-2-yl)-5-methyl-2-piperazin-1-yl-1,3-thiazole
CID 62632333
4-N-(2-methylfuran-3-yl)benzene-1,4-diamine
CID 174862783
4-(furan-2-yl)-5-(2-methylpropyl)-1,3-thiazol-2-amine
CID 23112572
4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 126050050

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,4-diamine?
The IUPAC name of 4-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,4-diamine (CID 82059120) is 4-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,4-diamine is Cc1sc(Nc2ccc(N)cc2)nc1-c1ccco1.
What is the InChIKey of 4-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,4-diamine?
The InChIKey is MTTLRWPNESXXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-13(12-3-2-8-18-12)17-14(19-9)16-11-6-4-10(15)5-7-11/h2-8H,15H2,1H3,(H,16,17).
What are the key properties of 4-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,4-diamine?
4-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,4-diamine has a molecular weight of 271.35 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]benzene-1,4-diamine is sourced from PubChem (CID 82059120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).