N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(1-benzylpiperidin-4-yl)acetamide

C18H25N5OS — CID 124752195

IUPACN-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(1-benzylpiperidin-4-yl)acetamide
SMILESC[C@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)c1nnc(N)s1
InChIInChI=1S/C18H25N5OS/c1-13(17-21-22-18(19)25-17)20-16(24)11-14-7-9-23(10-8-14)12-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H2,19,22)(H,20,24)/t13-/m0/s1
InChIKeyIXTRNFWLBMPYLQ-ZDUSSCGKSA-N
MW359.50 g/mol
LogP2.60
Rot. Bonds6

About N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(1-benzylpiperidin-4-yl)acetamide

N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(1-benzylpiperidin-4-yl)acetamide (PubChem CID 124752195) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(1-benzylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(1-benzylpiperidin-4-yl)acetamide
PubChem CID124752195
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(1-benzylpiperidin-4-yl)acetamide
SMILESC[C@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)c1nnc(N)s1
InChIInChI=1S/C18H25N5OS/c1-13(17-21-22-18(19)25-17)20-16(24)11-14-7-9-23(10-8-14)12-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H2,19,22)(H,20,24)/t13-/m0/s1
InChIKeyIXTRNFWLBMPYLQ-ZDUSSCGKSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
(2S)-3-phenyl-2-[[2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetyl]amino]propanamide
CID 11531121
propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate
CID 83983157
2-(1-benzylpiperidin-4-yl)-N-[(1R)-1-(1-methylpyrazol-4-yl)propyl]acetamide
CID 124752350
2-[1-(2-phenylacetyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 92634093
2-(1-benzylpiperidin-4-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 124850321
acetyl 2-(1-benzylpiperidin-4-yl)acetate
CID 175102662
N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1-methylpiperidin-4-yl)propanamide
CID 126428451
2-(1-ethylpiperidin-4-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 72845666
N-[1-(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)ethyl]-2-cyclohexylacetamide
CID 56607109
2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide
CID 110754745
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide
CID 66565315

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(1-benzylpiperidin-4-yl)acetamide?
The IUPAC name of N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(1-benzylpiperidin-4-yl)acetamide (CID 124752195) is N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(1-benzylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(1-benzylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(1-benzylpiperidin-4-yl)acetamide is C[C@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)c1nnc(N)s1.
What is the InChIKey of N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(1-benzylpiperidin-4-yl)acetamide?
The InChIKey is IXTRNFWLBMPYLQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-13(17-21-22-18(19)25-17)20-16(24)11-14-7-9-23(10-8-14)12-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H2,19,22)(H,20,24)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(1-benzylpiperidin-4-yl)acetamide?
N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(1-benzylpiperidin-4-yl)acetamide has a molecular weight of 359.50 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(1-benzylpiperidin-4-yl)acetamide is sourced from PubChem (CID 124752195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).