N-[4-methyl-5-[2-(3-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide

C15H13N5O3S2 — CID 2902308

IUPACN-[4-methyl-5-[2-(3-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(Nc3cccc([N+](=O)[O-])c3)n2)s1
InChIInChI=1S/C15H13N5O3S2/c1-8-13(25-15(16-8)17-9(2)21)12-7-24-14(19-12)18-10-4-3-5-11(6-10)20(22)23/h3-7H,1-2H3,(H,18,19)(H,16,17,21)
InChIKeyVCGYNRNTEBKAIL-UHFFFAOYSA-N
MW375.44 g/mol
LogP4.19
Rot. Bonds5

About N-[4-methyl-5-[2-(3-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-[2-(3-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 2902308) has the molecular formula C15H13N5O3S2 and a molecular weight of 375.44 g/mol. Its IUPAC name is N-[4-methyl-5-[2-(3-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[2-(3-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID2902308
Molecular FormulaC15H13N5O3S2
Molecular Weight375.44 g/mol
Exact Mass375.05
IUPAC NameN-[4-methyl-5-[2-(3-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(Nc3cccc([N+](=O)[O-])c3)n2)s1
InChIInChI=1S/C15H13N5O3S2/c1-8-13(25-15(16-8)17-9(2)21)12-7-24-14(19-12)18-10-4-3-5-11(6-10)20(22)23/h3-7H,1-2H3,(H,18,19)(H,16,17,21)
InChIKeyVCGYNRNTEBKAIL-UHFFFAOYSA-N
XLogP4.19
TPSA110.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

N-[5-[2-(4-bromoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 1186941
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenyl-1,3-thiazol-2-amine
CID 2898103
N-(4'-Methyl-2-(p-tolylamino)-[4,5'-bithiazol]-2'-yl)acetamide
CID 2898142
N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide
CID 1123739
Acetamide, N-(4-(4-nitro-2-thienyl)-2-thiazolyl)-
CID 42650
N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 4596978
N-[4-(2',4'-Dimethyl-[4,5']bithiazolyl-2-ylamino)-phenyl]-acetamide
CID 2877744
N-(4'-Methyl-2-m-tolylamino-[4,5']bithiazolyl-2'-yl)-acetamide
CID 3112395
4'-Methyl-N2-phenyl-[4,5'-bithiazole]-2,2'-diamine
CID 2866410
Cambridge id 6554706
CID 2902429
N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 745427
N-[2-(4-Acetylamino-phenylamino)-4'-methyl-[4,5']bithiazolyl-2'-yl]-acetamide
CID 1632909

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[2-(3-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[2-(3-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide (CID 2902308) is N-[4-methyl-5-[2-(3-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[2-(3-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[2-(3-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(Nc3cccc([N+](=O)[O-])c3)n2)s1.
What is the InChIKey of N-[4-methyl-5-[2-(3-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is VCGYNRNTEBKAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3S2/c1-8-13(25-15(16-8)17-9(2)21)12-7-24-14(19-12)18-10-4-3-5-11(6-10)20(22)23/h3-7H,1-2H3,(H,18,19)(H,16,17,21).
What are the key properties of N-[4-methyl-5-[2-(3-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-[2-(3-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 375.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[2-(3-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 2902308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).