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

C12H16N6OS2 — CID 126600029

IUPACN-[5-[(1R,3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc([C@@H]2CC[C@H](Cc3nnc(N)s3)C2)s1
InChIInChI=1S/C12H16N6OS2/c1-6(19)14-12-18-16-10(21-12)8-3-2-7(4-8)5-9-15-17-11(13)20-9/h7-8H,2-5H2,1H3,(H2,13,17)(H,14,18,19)/t7-,8+/m0/s1
InChIKeyARSKDTXJLMPJBR-JGVFFNPUSA-N
MW324.44 g/mol
LogP2.06
Rot. Bonds4

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

N-[5-[(1R,3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 126600029) has the molecular formula C12H16N6OS2 and a molecular weight of 324.44 g/mol. Its IUPAC name is N-[5-[(1R,3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(1R,3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID126600029
Molecular FormulaC12H16N6OS2
Molecular Weight324.44 g/mol
Exact Mass324.08
IUPAC NameN-[5-[(1R,3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc([C@@H]2CC[C@H](Cc3nnc(N)s3)C2)s1
InChIInChI=1S/C12H16N6OS2/c1-6(19)14-12-18-16-10(21-12)8-3-2-7(4-8)5-9-15-17-11(13)20-9/h7-8H,2-5H2,1H3,(H2,13,17)(H,14,18,19)/t7-,8+/m0/s1
InChIKeyARSKDTXJLMPJBR-JGVFFNPUSA-N
XLogP2.06
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-N-[5-[4-[5-(2-methylbutanoylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 74982468
2-cyclopentyl-N-[5-[4-[5-[(2-cyclopentylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 89596782
N-[5-[4-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
CID 89596976
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3152688
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)propanamide
CID 977310
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1080968
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
CID 1080969
N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1247323
N-[5-[5-(5-acetamido-1,3,4-thiadiazol-2-yl)pentyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 1814494
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 3212600
N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 1226022
N,N'-(octane-1,8-diyldi-1,3,4-thiadiazol-2-yl-5-ylidene)diacetamide
CID 3449097

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1R,3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(1R,3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 126600029) is N-[5-[(1R,3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(1R,3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(1R,3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc([C@@H]2CC[C@H](Cc3nnc(N)s3)C2)s1.
What is the InChIKey of N-[5-[(1R,3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is ARSKDTXJLMPJBR-JGVFFNPUSA-N. The full InChI is InChI=1S/C12H16N6OS2/c1-6(19)14-12-18-16-10(21-12)8-3-2-7(4-8)5-9-15-17-11(13)20-9/h7-8H,2-5H2,1H3,(H2,13,17)(H,14,18,19)/t7-,8+/m0/s1.
What are the key properties of N-[5-[(1R,3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(1R,3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 324.44 g/mol, XLogP of 2.06, 4 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-amino-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 126600029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).