N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide

C18H30N6O2S — CID 20958102

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
SMILESCN(CC(=O)NCCN(C)C1CCCCC1)c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C18H30N6O2S/c1-22(14-7-4-3-5-8-14)12-10-19-15(25)13-23(2)17-20-21-18(27-17)24-11-6-9-16(24)26/h14H,3-13H2,1-2H3,(H,19,25)
InChIKeyDEPDHSILAOVCMH-UHFFFAOYSA-N
MW394.55 g/mol
LogP1.48
Rot. Bonds8

About N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide (PubChem CID 20958102) has the molecular formula C18H30N6O2S and a molecular weight of 394.55 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
PubChem CID20958102
Molecular FormulaC18H30N6O2S
Molecular Weight394.55 g/mol
Exact Mass394.22
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
SMILESCN(CC(=O)NCCN(C)C1CCCCC1)c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C18H30N6O2S/c1-22(14-7-4-3-5-8-14)12-10-19-15(25)13-23(2)17-20-21-18(27-17)24-11-6-9-16(24)26/h14H,3-13H2,1-2H3,(H,19,25)
InChIKeyDEPDHSILAOVCMH-UHFFFAOYSA-N
XLogP1.48
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.55
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]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

CID 22513591
CID 22513591
CID 6625554
CID 6625554
CID 22513648
CID 22513648
CID 22513539
CID 22513539
CID 22513600
CID 22513600
CID 22513592
CID 22513592
CID 46344971
CID 46344971
CID 20886519
CID 20886519
CID 20958098
CID 20958098
CID 20958105
CID 20958105
CID 20958161
CID 20958161
CID 20958232
CID 20958232

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide (CID 20958102) is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide is CN(CC(=O)NCCN(C)C1CCCCC1)c1nnc(N2CCCC2=O)s1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The InChIKey is DEPDHSILAOVCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2S/c1-22(14-7-4-3-5-8-14)12-10-19-15(25)13-23(2)17-20-21-18(27-17)24-11-6-9-16(24)26/h14H,3-13H2,1-2H3,(H,19,25).
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide has a molecular weight of 394.55 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide is sourced from PubChem (CID 20958102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).