2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-propan-2-ylacetamide

C9H17N5OS — CID 80607447

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)Cc1nnc(N)s1
InChIInChI=1S/C9H17N5OS/c1-6(2)11-7(15)4-14(3)5-8-12-13-9(10)16-8/h6H,4-5H2,1-3H3,(H2,10,13)(H,11,15)
InChIKeyMODATGBWXQHMGW-UHFFFAOYSA-N
MW243.34 g/mol
LogP0.08
Rot. Bonds5

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-propan-2-ylacetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 80607447) has the molecular formula C9H17N5OS and a molecular weight of 243.34 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-propan-2-ylacetamide
PubChem CID80607447
Molecular FormulaC9H17N5OS
Molecular Weight243.34 g/mol
Exact Mass243.12
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)Cc1nnc(N)s1
InChIInChI=1S/C9H17N5OS/c1-6(2)11-7(15)4-14(3)5-8-12-13-9(10)16-8/h6H,4-5H2,1-3H3,(H2,10,13)(H,11,15)
InChIKeyMODATGBWXQHMGW-UHFFFAOYSA-N
XLogP0.08
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-propan-2-ylacetamide 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

2-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 9174271
2-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 9174315
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
2-[[4-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 9174239
2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 9174299
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-methylacetamide
CID 80606572
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
5-amino-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-3-carboxamide
CID 55005406
2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid
CID 105345888
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78913304
5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 112664330
2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 62892164

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-propan-2-ylacetamide (CID 80607447) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)Cc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-propan-2-ylacetamide?
The InChIKey is MODATGBWXQHMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5OS/c1-6(2)11-7(15)4-14(3)5-8-12-13-9(10)16-8/h6H,4-5H2,1-3H3,(H2,10,13)(H,11,15).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-propan-2-ylacetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-propan-2-ylacetamide has a molecular weight of 243.34 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 80607447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).