2-chloro-N-[[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]carbamoyl]acetamide

C10H7ClN4O5S — CID 121215868

IUPAC2-chloro-N-[[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]carbamoyl]acetamide
SMILESO=C(CCl)NC(=O)Nc1nc(-c2ccc([N+](=O)[O-])o2)cs1
InChIInChI=1S/C10H7ClN4O5S/c11-3-7(16)13-9(17)14-10-12-5(4-21-10)6-1-2-8(20-6)15(18)19/h1-2,4H,3H2,(H2,12,13,14,16,17)
InChIKeyBGBBTYIKDFCGLO-UHFFFAOYSA-N
MW330.71 g/mol
LogP2.20
Rot. Bonds4

About 2-chloro-N-[[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]carbamoyl]acetamide

2-chloro-N-[[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]carbamoyl]acetamide (PubChem CID 121215868) has the molecular formula C10H7ClN4O5S and a molecular weight of 330.71 g/mol. Its IUPAC name is 2-chloro-N-[[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]carbamoyl]acetamide
PubChem CID121215868
Molecular FormulaC10H7ClN4O5S
Molecular Weight330.71 g/mol
Exact Mass329.98
IUPAC Name2-chloro-N-[[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]carbamoyl]acetamide
SMILESO=C(CCl)NC(=O)Nc1nc(-c2ccc([N+](=O)[O-])o2)cs1
InChIInChI=1S/C10H7ClN4O5S/c11-3-7(16)13-9(17)14-10-12-5(4-21-10)6-1-2-8(20-6)15(18)19/h1-2,4H,3H2,(H2,12,13,14,16,17)
InChIKeyBGBBTYIKDFCGLO-UHFFFAOYSA-N
XLogP2.20
TPSA127.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.71
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 10753
4-(5-nitrofuran-2-yl)-1,3-thiazole-2-carbohydrazide
CID 56615074
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 2323203
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 4280625
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 42378381
4-chloro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 9094660
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90511972
2-chloro-N-[5-methyl-4-(5-nitrofuran-2-yl)triazol-1-yl]acetamide
CID 20977262
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
2-(5-nitrofuran-2-yl)-4-phenyl-1,3-thiazole
CID 138754238
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)acetamide
CID 42992045
lithium 4-[[4-methyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoate
CID 155823011

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]carbamoyl]acetamide (CID 121215868) is 2-chloro-N-[[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]carbamoyl]acetamide is O=C(CCl)NC(=O)Nc1nc(-c2ccc([N+](=O)[O-])o2)cs1.
What is the InChIKey of 2-chloro-N-[[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]carbamoyl]acetamide?
The InChIKey is BGBBTYIKDFCGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O5S/c11-3-7(16)13-9(17)14-10-12-5(4-21-10)6-1-2-8(20-6)15(18)19/h1-2,4H,3H2,(H2,12,13,14,16,17).
What are the key properties of 2-chloro-N-[[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]carbamoyl]acetamide?
2-chloro-N-[[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]carbamoyl]acetamide has a molecular weight of 330.71 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]carbamoyl]acetamide is sourced from PubChem (CID 121215868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).