N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1-methylpiperidin-4-yl)propanamide

C18H25N5OS — CID 126428451

IUPACN-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(CCC(=O)N[C@H](c2ccccc2)c2nnc(N)s2)CC1
InChIInChI=1S/C18H25N5OS/c1-23-11-9-13(10-12-23)7-8-15(24)20-16(14-5-3-2-4-6-14)17-21-22-18(19)25-17/h2-6,13,16H,7-12H2,1H3,(H2,19,22)(H,20,24)/t16-/m1/s1
InChIKeyRYLDMFFJYMBNFP-MRXNPFEDSA-N
MW359.50 g/mol
LogP2.45
Rot. Bonds6

About N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1-methylpiperidin-4-yl)propanamide

N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1-methylpiperidin-4-yl)propanamide (PubChem CID 126428451) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1-methylpiperidin-4-yl)propanamide
PubChem CID126428451
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(CCC(=O)N[C@H](c2ccccc2)c2nnc(N)s2)CC1
InChIInChI=1S/C18H25N5OS/c1-23-11-9-13(10-12-23)7-8-15(24)20-16(14-5-3-2-4-6-14)17-21-22-18(19)25-17/h2-6,13,16H,7-12H2,1H3,(H2,19,22)(H,20,24)/t16-/m1/s1
InChIKeyRYLDMFFJYMBNFP-MRXNPFEDSA-N
XLogP2.45
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1-methylpiperidin-4-yl)propanamide 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-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-pyrrolidin-1-ylacetamide
CID 91776924
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70737078
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 91770993
3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 18290416
N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 95871532
1-N'-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]cyclopropane-1,1-dicarboxamide
CID 91791956
N-benzhydryl-3-(oxan-4-yl)propanamide
CID 84577345
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 91778355
N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 95128825
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91761835
N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(1-benzylpiperidin-4-yl)acetamide
CID 124752195
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-5-(1-methylpyrrol-2-yl)pyrazolidine-3-carboxamide
CID 134068029

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1-methylpiperidin-4-yl)propanamide (CID 126428451) is N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1-methylpiperidin-4-yl)propanamide is CN1CCC(CCC(=O)N[C@H](c2ccccc2)c2nnc(N)s2)CC1.
What is the InChIKey of N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is RYLDMFFJYMBNFP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-23-11-9-13(10-12-23)7-8-15(24)20-16(14-5-3-2-4-6-14)17-21-22-18(19)25-17/h2-6,13,16H,7-12H2,1H3,(H2,19,22)(H,20,24)/t16-/m1/s1.
What are the key properties of N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1-methylpiperidin-4-yl)propanamide?
N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 359.50 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 126428451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).