N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(oxolan-3-ylmethyl)amino]acetamide

C12H20N4O3S — CID 131942969

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(oxolan-3-ylmethyl)amino]acetamide
SMILESCOCc1nnc(NC(=O)CN(C)CC2CCOC2)s1
InChIInChI=1S/C12H20N4O3S/c1-16(5-9-3-4-19-7-9)6-10(17)13-12-15-14-11(20-12)8-18-2/h9H,3-8H2,1-2H3,(H,13,15,17)
InChIKeyYULTWZJIUSCEGB-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.59
Rot. Bonds7

About N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(oxolan-3-ylmethyl)amino]acetamide

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(oxolan-3-ylmethyl)amino]acetamide (PubChem CID 131942969) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(oxolan-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(oxolan-3-ylmethyl)amino]acetamide
PubChem CID131942969
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(oxolan-3-ylmethyl)amino]acetamide
SMILESCOCc1nnc(NC(=O)CN(C)CC2CCOC2)s1
InChIInChI=1S/C12H20N4O3S/c1-16(5-9-3-4-19-7-9)6-10(17)13-12-15-14-11(20-12)8-18-2/h9H,3-8H2,1-2H3,(H,13,15,17)
InChIKeyYULTWZJIUSCEGB-UHFFFAOYSA-N
XLogP0.59
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(oxolan-3-ylmethyl)amino]acetamide 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

methyl 3-[5-[[ethyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]amino]-1,3,4-thiadiazol-2-yl]propanoate
CID 95632364
methyl 3-[5-[[ethyl(oxolan-3-ylmethyl)carbamoyl]amino]-1,3,4-thiadiazol-2-yl]propanoate
CID 56793757
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 19202988
3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 166568162
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91842512
1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]methyl]-3-[2-methyl-1-(oxolan-3-yl)propan-2-yl]urea
CID 167985839
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 733423
1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 94140840
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 734582
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
CID 95136668
2-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 50949830
N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(oxolan-3-yl)acetamide
CID 122559597

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(oxolan-3-ylmethyl)amino]acetamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(oxolan-3-ylmethyl)amino]acetamide (CID 131942969) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(oxolan-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(oxolan-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(oxolan-3-ylmethyl)amino]acetamide is COCc1nnc(NC(=O)CN(C)CC2CCOC2)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(oxolan-3-ylmethyl)amino]acetamide?
The InChIKey is YULTWZJIUSCEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-16(5-9-3-4-19-7-9)6-10(17)13-12-15-14-11(20-12)8-18-2/h9H,3-8H2,1-2H3,(H,13,15,17).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(oxolan-3-ylmethyl)amino]acetamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(oxolan-3-ylmethyl)amino]acetamide has a molecular weight of 300.38 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(oxolan-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 131942969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).