4-(furan-2-yl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine

C14H12N2OS2 — CID 122183960

IUPAC4-(furan-2-yl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
SMILESCSc1cccc(Nc2nc(-c3ccco3)cs2)c1
InChIInChI=1S/C14H12N2OS2/c1-18-11-5-2-4-10(8-11)15-14-16-12(9-19-14)13-6-3-7-17-13/h2-9H,1H3,(H,15,16)
InChIKeyHKNKWQBAHDTBRW-UHFFFAOYSA-N
MW288.40 g/mol
LogP4.87
Rot. Bonds4

About 4-(furan-2-yl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine

4-(furan-2-yl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine (PubChem CID 122183960) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
PubChem CID122183960
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC Name4-(furan-2-yl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
SMILESCSc1cccc(Nc2nc(-c3ccco3)cs2)c1
InChIInChI=1S/C14H12N2OS2/c1-18-11-5-2-4-10(8-11)15-14-16-12(9-19-14)13-6-3-7-17-13/h2-9H,1H3,(H,15,16)
InChIKeyHKNKWQBAHDTBRW-UHFFFAOYSA-N
XLogP4.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Furan-2-yl)-1,3-thiazol-2-amine
CID 727834
N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 944851
N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 958627
3-fluoro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzene-1-sulfonamide
CID 9166003
2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 2464348
4-(5-Methylfuran-2-yl)-1,3-thiazol-2-amine
CID 2113305
(2',4'-Dimethyl-[4,5']bithiazolyl-2-yl)-furan-2-ylmethyl-amine
CID 646758
N-(3-{2-[(Furan-2-ylmethyl)-amino]-thiazol-4-yl}-phenyl)-acetamide
CID 647705
Furan-2-ylmethyl-[4-(4-methoxy-phenyl)-thiazol-2-yl]-amine
CID 652138
N-(4-{2-[(Furan-2-ylmethyl)-amino]-thiazol-4-yl}-phenyl)-acetamide
CID 972496
Furan-2-carboxylic acid (2-acetylamino-benzothiazol-6-yl)-amide
CID 1084680
4-{[4-(5-Methyl-2-furyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
CID 2959831

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine (CID 122183960) is 4-(furan-2-yl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine is CSc1cccc(Nc2nc(-c3ccco3)cs2)c1.
What is the InChIKey of 4-(furan-2-yl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine?
The InChIKey is HKNKWQBAHDTBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-18-11-5-2-4-10(8-11)15-14-16-12(9-19-14)13-6-3-7-17-13/h2-9H,1H3,(H,15,16).
What are the key properties of 4-(furan-2-yl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine?
4-(furan-2-yl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine has a molecular weight of 288.40 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 122183960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).