N-[5-(2-aminoanilino)-5-oxopentyl]-5-methyl-1,3-thiazole-2-carboxamide

C16H20N4O2S — CID 45137897

IUPACN-[5-(2-aminoanilino)-5-oxopentyl]-5-methyl-1,3-thiazole-2-carboxamide
SMILESCc1cnc(C(=O)NCCCCC(=O)Nc2ccccc2N)s1
InChIInChI=1S/C16H20N4O2S/c1-11-10-19-16(23-11)15(22)18-9-5-4-8-14(21)20-13-7-3-2-6-12(13)17/h2-3,6-7,10H,4-5,8-9,17H2,1H3,(H,18,22)(H,20,21)
InChIKeyFUMJEYMXMAMYHZ-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.57
Rot. Bonds7

About N-[5-(2-aminoanilino)-5-oxopentyl]-5-methyl-1,3-thiazole-2-carboxamide

N-[5-(2-aminoanilino)-5-oxopentyl]-5-methyl-1,3-thiazole-2-carboxamide (PubChem CID 45137897) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[5-(2-aminoanilino)-5-oxopentyl]-5-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-aminoanilino)-5-oxopentyl]-5-methyl-1,3-thiazole-2-carboxamide
PubChem CID45137897
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[5-(2-aminoanilino)-5-oxopentyl]-5-methyl-1,3-thiazole-2-carboxamide
SMILESCc1cnc(C(=O)NCCCCC(=O)Nc2ccccc2N)s1
InChIInChI=1S/C16H20N4O2S/c1-11-10-19-16(23-11)15(22)18-9-5-4-8-14(21)20-13-7-3-2-6-12(13)17/h2-3,6-7,10H,4-5,8-9,17H2,1H3,(H,18,22)(H,20,21)
InChIKeyFUMJEYMXMAMYHZ-UHFFFAOYSA-N
XLogP2.57
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-aminoanilino)-5-oxopentyl]-5-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[5-(2-aminoanilino)-5-oxopentyl]-5-methyl-1,3-thiazole-2-carboxamide (CID 45137897) is N-[5-(2-aminoanilino)-5-oxopentyl]-5-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[5-(2-aminoanilino)-5-oxopentyl]-5-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[5-(2-aminoanilino)-5-oxopentyl]-5-methyl-1,3-thiazole-2-carboxamide is Cc1cnc(C(=O)NCCCCC(=O)Nc2ccccc2N)s1.
What is the InChIKey of N-[5-(2-aminoanilino)-5-oxopentyl]-5-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is FUMJEYMXMAMYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11-10-19-16(23-11)15(22)18-9-5-4-8-14(21)20-13-7-3-2-6-12(13)17/h2-3,6-7,10H,4-5,8-9,17H2,1H3,(H,18,22)(H,20,21).
What are the key properties of N-[5-(2-aminoanilino)-5-oxopentyl]-5-methyl-1,3-thiazole-2-carboxamide?
N-[5-(2-aminoanilino)-5-oxopentyl]-5-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-aminoanilino)-5-oxopentyl]-5-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 45137897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).