N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide

C16H18N4O2S2 — CID 6385345

IUPACN,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide
SMILESCc1ccsc1/C=N\NC(=O)CCC(=O)N/N=C\c1sccc1C
InChIInChI=1S/C16H18N4O2S2/c1-11-5-7-23-13(11)9-17-19-15(21)3-4-16(22)20-18-10-14-12(2)6-8-24-14/h5-10H,3-4H2,1-2H3,(H,19,21)(H,20,22)/b17-9-,18-10-
InChIKeyHDGBYJCDWQXQQB-XFQWXJFMSA-N
MW362.48 g/mol
LogP2.81
Rot. Bonds7

About N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide

N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide (PubChem CID 6385345) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide
PubChem CID6385345
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC NameN,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide
SMILESCc1ccsc1/C=N\NC(=O)CCC(=O)N/N=C\c1sccc1C
InChIInChI=1S/C16H18N4O2S2/c1-11-5-7-23-13(11)9-17-19-15(21)3-4-16(22)20-18-10-14-12(2)6-8-24-14/h5-10H,3-4H2,1-2H3,(H,19,21)(H,20,22)/b17-9-,18-10-
InChIKeyHDGBYJCDWQXQQB-XFQWXJFMSA-N
XLogP2.81
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide
CID 6873587
3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]butanamide
CID 3481612
3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]propanamide
CID 7064167
3-(3-methylidene-5-oxopyrazolidin-4-yl)-N-[(3-methylthiophen-2-yl)methylideneamino]propanamide
CID 4220480
2-(2,6-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 909241
3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-N-[(3-methylthiophen-2-yl)methylideneamino]propanamide
CID 5019917
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 9121577
N-[2-[(2E)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 43948582
2-(3,4-dimethylphenoxy)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 6023409
N-[(3-methylthiophen-2-yl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 671297
N',N'-diethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide
CID 94846890
2-(9H-fluoren-9-ylsulfanyl)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 4267324

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide?
The IUPAC name of N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide (CID 6385345) is N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide.
What is the SMILES notation for N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide?
The canonical SMILES for N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide is Cc1ccsc1/C=N\NC(=O)CCC(=O)N/N=C\c1sccc1C.
What is the InChIKey of N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide?
The InChIKey is HDGBYJCDWQXQQB-XFQWXJFMSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c1-11-5-7-23-13(11)9-17-19-15(21)3-4-16(22)20-18-10-14-12(2)6-8-24-14/h5-10H,3-4H2,1-2H3,(H,19,21)(H,20,22)/b17-9-,18-10-.
What are the key properties of N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide?
N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide has a molecular weight of 362.48 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide is sourced from PubChem (CID 6385345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).