3-amino-5-[2-(4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide

C15H17N5O2S2 — CID 89224170

IUPAC3-amino-5-[2-(4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCC1N=CSC1CCOc1cc(N)cc(C(=O)Nc2nncs2)c1
InChIInChI=1S/C15H17N5O2S2/c1-9-13(23-7-17-9)2-3-22-12-5-10(4-11(16)6-12)14(21)19-15-20-18-8-24-15/h4-9,13H,2-3,16H2,1H3,(H,19,20,21)
InChIKeyOBCPYFYXQNSTTO-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.67
Rot. Bonds6

About 3-amino-5-[2-(4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide

3-amino-5-[2-(4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 89224170) has the molecular formula C15H17N5O2S2 and a molecular weight of 363.47 g/mol. Its IUPAC name is 3-amino-5-[2-(4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-[2-(4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID89224170
Molecular FormulaC15H17N5O2S2
Molecular Weight363.47 g/mol
Exact Mass363.08
IUPAC Name3-amino-5-[2-(4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCC1N=CSC1CCOc1cc(N)cc(C(=O)Nc2nncs2)c1
InChIInChI=1S/C15H17N5O2S2/c1-9-13(23-7-17-9)2-3-22-12-5-10(4-11(16)6-12)14(21)19-15-20-18-8-24-15/h4-9,13H,2-3,16H2,1H3,(H,19,20,21)
InChIKeyOBCPYFYXQNSTTO-UHFFFAOYSA-N
XLogP2.67
TPSA102.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl-[3-[2-(4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethoxy]-5-(1,3,4-thiadiazol-2-ylcarbamoyl)phenyl]-oxoazanium
CID 89224089
3-amino-5-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 78985107
3-amino-5-methylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 55009778
1-[3-amino-5-(2-methoxyethoxy)phenyl]ethanone
CID 88985945
2-[[3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 59735803
[4-[[3-propan-2-yloxy-5-(1,3,4-thiadiazol-2-ylcarbamoyl)phenoxy]methyl]phenyl]phosphonic acid
CID 126755018
3-phenoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 6470444
3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 739253
3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide
CID 83108291
3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide
CID 81090073
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 47016422
5-amino-2,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 102704945

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-amino-5-[2-(4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 89224170) is 3-amino-5-[2-(4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-amino-5-[2-(4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-amino-5-[2-(4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide is CC1N=CSC1CCOc1cc(N)cc(C(=O)Nc2nncs2)c1.
What is the InChIKey of 3-amino-5-[2-(4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is OBCPYFYXQNSTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S2/c1-9-13(23-7-17-9)2-3-22-12-5-10(4-11(16)6-12)14(21)19-15-20-18-8-24-15/h4-9,13H,2-3,16H2,1H3,(H,19,20,21).
What are the key properties of 3-amino-5-[2-(4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide?
3-amino-5-[2-(4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 363.47 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 89224170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).