N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-3-(dimethylamino)benzamide

C13H17N5OS — CID 82176383

IUPACN-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-3-(dimethylamino)benzamide
SMILESCC(N)c1nnc(NC(=O)c2cccc(N(C)C)c2)s1
InChIInChI=1S/C13H17N5OS/c1-8(14)12-16-17-13(20-12)15-11(19)9-5-4-6-10(7-9)18(2)3/h4-8H,14H2,1-3H3,(H,15,17,19)
InChIKeyFXSJDKSCIJWEGD-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.88
Rot. Bonds4

About N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-3-(dimethylamino)benzamide

N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-3-(dimethylamino)benzamide (PubChem CID 82176383) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-3-(dimethylamino)benzamide
PubChem CID82176383
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-3-(dimethylamino)benzamide
SMILESCC(N)c1nnc(NC(=O)c2cccc(N(C)C)c2)s1
InChIInChI=1S/C13H17N5OS/c1-8(14)12-16-17-13(20-12)15-11(19)9-5-4-6-10(7-9)18(2)3/h4-8H,14H2,1-3H3,(H,15,17,19)
InChIKeyFXSJDKSCIJWEGD-UHFFFAOYSA-N
XLogP1.88
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-3-(dimethylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-(dimethylamino)benzamide
CID 4147908
3-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623875
3-(dimethylamino)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 134705450
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
CID 82176351
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
CID 82176376
3-phenoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 9247160
3-(methylsulfonylmethyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 43033712
3-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 121082993
3-(dimethylamino)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 121082978
ethyl 2-[[3-(dimethylamino)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 26902207
2-amino-1-[3-(dimethylamino)phenyl]propan-1-one
CID 57002275
3-(dimethylamino)-N-(4,5-dimethylthiophen-2-yl)benzamide
CID 110660161

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-3-(dimethylamino)benzamide (CID 82176383) is N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-3-(dimethylamino)benzamide is CC(N)c1nnc(NC(=O)c2cccc(N(C)C)c2)s1.
What is the InChIKey of N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-3-(dimethylamino)benzamide?
The InChIKey is FXSJDKSCIJWEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-8(14)12-16-17-13(20-12)15-11(19)9-5-4-6-10(7-9)18(2)3/h4-8H,14H2,1-3H3,(H,15,17,19).
What are the key properties of N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-3-(dimethylamino)benzamide?
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-3-(dimethylamino)benzamide has a molecular weight of 291.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-3-(dimethylamino)benzamide is sourced from PubChem (CID 82176383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).