N-(furan-2-ylmethyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine

C14H12N4OS2 — CID 3144336

IUPACN-(furan-2-ylmethyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCc1nc2sccn2c1-c1csc(NCc2ccco2)n1
InChIInChI=1S/C14H12N4OS2/c1-9-12(18-4-6-20-14(18)16-9)11-8-21-13(17-11)15-7-10-3-2-5-19-10/h2-6,8H,7H2,1H3,(H,15,17)
InChIKeyQIAAFPUTBZMCGT-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.03
Rot. Bonds4

About N-(furan-2-ylmethyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine

N-(furan-2-ylmethyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 3144336) has the molecular formula C14H12N4OS2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
PubChem CID3144336
Molecular FormulaC14H12N4OS2
Molecular Weight316.41 g/mol
Exact Mass316.05
IUPAC NameN-(furan-2-ylmethyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCc1nc2sccn2c1-c1csc(NCc2ccco2)n1
InChIInChI=1S/C14H12N4OS2/c1-9-12(18-4-6-20-14(18)16-9)11-8-21-13(17-11)15-7-10-3-2-5-19-10/h2-6,8H,7H2,1H3,(H,15,17)
InChIKeyQIAAFPUTBZMCGT-UHFFFAOYSA-N
XLogP4.03
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_F(2)', 'substructure': 'N/A'}

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Related Compounds

(2',4'-Dimethyl-[4,5']bithiazolyl-2-yl)-furan-2-ylmethyl-amine
CID 646758
N-(2-furanylmethyl)-4-(2-methyl-3-imidazo[1,2-a]pyridinyl)-2-thiazolamine
CID 697312
2-((1-(furan-2-ylmethyl)-1H-imidazol-2-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 7151137
2-(1-Furan-2-ylmethyl-5-phenyl-1H-imidazol-2-ylsulfanyl)-N-(5-methyl-thiazol-2-yl)-acetamide
CID 650898
2-[5-(4-Fluoro-phenyl)-1-furan-2-ylmethyl-1H-imidazol-2-ylsulfanyl]-N-thiazol-2-yl-acetamide
CID 656147
4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 697316
N-(2-furylmethyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 2901742
3-(Imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one
CID 2998689
N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-furamide
CID 3237333
N-(furan-2-ylmethyl)-3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 5310014
2-furyl-N-[4-(2-methyl(4-hydroimidazo[1,2-a]pyridin-3-yl))(1,3-thiazol-2-yl)]c arboxamide
CID 856162
N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propane-1,3-diamine
CID 16676945

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine (CID 3144336) is N-(furan-2-ylmethyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine is Cc1nc2sccn2c1-c1csc(NCc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is QIAAFPUTBZMCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS2/c1-9-12(18-4-6-20-14(18)16-9)11-8-21-13(17-11)15-7-10-3-2-5-19-10/h2-6,8H,7H2,1H3,(H,15,17).
What are the key properties of N-(furan-2-ylmethyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine?
N-(furan-2-ylmethyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 316.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 3144336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).