1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine

C14H18N4O2S2 — CID 139019354

IUPAC1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
SMILESCc1nnc(CNCc2cccc(N3CCCS3(=O)=O)c2)s1
InChIInChI=1S/C14H18N4O2S2/c1-11-16-17-14(21-11)10-15-9-12-4-2-5-13(8-12)18-6-3-7-22(18,19)20/h2,4-5,8,15H,3,6-7,9-10H2,1H3
InChIKeyDYCGFDSCOJCLML-UHFFFAOYSA-N
MW338.46 g/mol
LogP1.68
Rot. Bonds5

About 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine

1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine (PubChem CID 139019354) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
PubChem CID139019354
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC Name1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
SMILESCc1nnc(CNCc2cccc(N3CCCS3(=O)=O)c2)s1
InChIInChI=1S/C14H18N4O2S2/c1-11-16-17-14(21-11)10-15-9-12-4-2-5-13(8-12)18-6-3-7-22(18,19)20/h2,4-5,8,15H,3,6-7,9-10H2,1H3
InChIKeyDYCGFDSCOJCLML-UHFFFAOYSA-N
XLogP1.68
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-5-methylpyrimidin-2-amine
CID 133471842
4-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]methyl]benzoic acid
CID 122032900
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]aniline
CID 167796792
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 133472023
5-(2-chlorophenyl)-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 133471957
ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide
CID 166090798
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-methyl-3-phenylbutan-2-amine
CID 126779035
3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 133471844
2-chloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-5-methyl-4-nitroaniline
CID 133471937
6,7-dichloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinoxalin-2-amine
CID 133471803
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133471767
1-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122010098

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine (CID 139019354) is 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine is Cc1nnc(CNCc2cccc(N3CCCS3(=O)=O)c2)s1.
What is the InChIKey of 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine?
The InChIKey is DYCGFDSCOJCLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S2/c1-11-16-17-14(21-11)10-15-9-12-4-2-5-13(8-12)18-6-3-7-22(18,19)20/h2,4-5,8,15H,3,6-7,9-10H2,1H3.
What are the key properties of 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine?
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine has a molecular weight of 338.46 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 139019354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).