N-[5-[[(1R,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide

C14H18N6O2S2 — CID 118492641

IUPACN-[5-[[(1R,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(C[C@@H]2CC[C@H](c3nnc(NC(C)=O)s3)C2)s1
InChIInChI=1S/C14H18N6O2S2/c1-7(21)15-13-19-17-11(23-13)6-9-3-4-10(5-9)12-18-20-14(24-12)16-8(2)22/h9-10H,3-6H2,1-2H3,(H,15,19,21)(H,16,20,22)/t9-,10+/m1/s1
InChIKeyQJQQQPPECYBLGI-ZJUUUORDSA-N
MW366.47 g/mol
LogP2.43
Rot. Bonds5

About N-[5-[[(1R,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[[(1R,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 118492641) has the molecular formula C14H18N6O2S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[5-[[(1R,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(1R,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID118492641
Molecular FormulaC14H18N6O2S2
Molecular Weight366.47 g/mol
Exact Mass366.09
IUPAC NameN-[5-[[(1R,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(C[C@@H]2CC[C@H](c3nnc(NC(C)=O)s3)C2)s1
InChIInChI=1S/C14H18N6O2S2/c1-7(21)15-13-19-17-11(23-13)6-9-3-4-10(5-9)12-18-20-14(24-12)16-8(2)22/h9-10H,3-6H2,1-2H3,(H,15,19,21)(H,16,20,22)/t9-,10+/m1/s1
InChIKeyQJQQQPPECYBLGI-ZJUUUORDSA-N
XLogP2.43
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(1R,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(1R,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 118492641) is N-[5-[[(1R,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(1R,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(1R,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(C[C@@H]2CC[C@H](c3nnc(NC(C)=O)s3)C2)s1.
What is the InChIKey of N-[5-[[(1R,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is QJQQQPPECYBLGI-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H18N6O2S2/c1-7(21)15-13-19-17-11(23-13)6-9-3-4-10(5-9)12-18-20-14(24-12)16-8(2)22/h9-10H,3-6H2,1-2H3,(H,15,19,21)(H,16,20,22)/t9-,10+/m1/s1.
What are the key properties of N-[5-[[(1R,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[[(1R,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 366.47 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(1R,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 118492641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).