2-methylsulfanyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-4-amine

C8H7N3O3S2 — CID 13327587

IUPAC2-methylsulfanyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-4-amine
SMILESCSc1nc(N)c(-c2ccc([N+](=O)[O-])o2)s1
InChIInChI=1S/C8H7N3O3S2/c1-15-8-10-7(9)6(16-8)4-2-3-5(14-4)11(12)13/h2-3H,9H2,1H3
InChIKeyYZZAORHTANOSQN-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.62
Rot. Bonds3

About 2-methylsulfanyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-4-amine

2-methylsulfanyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-4-amine (PubChem CID 13327587) has the molecular formula C8H7N3O3S2 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-methylsulfanyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-4-amine
PubChem CID13327587
Molecular FormulaC8H7N3O3S2
Molecular Weight257.30 g/mol
Exact Mass256.99
IUPAC Name2-methylsulfanyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-4-amine
SMILESCSc1nc(N)c(-c2ccc([N+](=O)[O-])o2)s1
InChIInChI=1S/C8H7N3O3S2/c1-15-8-10-7(9)6(16-8)4-2-3-5(14-4)11(12)13/h2-3H,9H2,1H3
InChIKeyYZZAORHTANOSQN-UHFFFAOYSA-N
XLogP2.62
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-iodo-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine
CID 12007693
3-amino-5-(5-nitrofuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid
CID 83037042
4-methyl-2-(5-nitrofuran-2-yl)-1,3-thiazole
CID 23996777
2-(methylamino)-6-(5-nitrofuran-2-yl)-1,3-thiazin-4-one
CID 23274614
lithium 4-[[4-methyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoate
CID 155823011
2-amino-6-chloro-4-(5-nitrofuran-2-yl)pyridine-3,5-dicarbonitrile
CID 641460
6-bromo-7-methyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 79736809
5-methyl-1-methylsulfanyl-4-(5-nitrofuran-2-yl)triazole
CID 20980282
6-ethyl-1-methyl-3-(5-nitrofuran-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 21416629
N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 10753
2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-5-(5-nitrofuran-2-yl)-1,3,4-thiadiazole
CID 25058671
4-(5-nitrofuran-2-yl)-1,3-thiazole-2-carbohydrazide
CID 56615074

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-4-amine?
The IUPAC name of 2-methylsulfanyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-4-amine (CID 13327587) is 2-methylsulfanyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-methylsulfanyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-methylsulfanyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-4-amine is CSc1nc(N)c(-c2ccc([N+](=O)[O-])o2)s1.
What is the InChIKey of 2-methylsulfanyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-4-amine?
The InChIKey is YZZAORHTANOSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3S2/c1-15-8-10-7(9)6(16-8)4-2-3-5(14-4)11(12)13/h2-3H,9H2,1H3.
What are the key properties of 2-methylsulfanyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-4-amine?
2-methylsulfanyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-4-amine has a molecular weight of 257.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-4-amine is sourced from PubChem (CID 13327587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).