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

C14H20N6OS2 — CID 126600035

IUPACN-[5-[[(1R,3S)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCNc1nnc([C@H]2CC[C@@H](Cc3nnc(NC(C)=O)s3)C2)s1
InChIInChI=1S/C14H20N6OS2/c1-3-15-13-19-18-12(23-13)10-5-4-9(6-10)7-11-17-20-14(22-11)16-8(2)21/h9-10H,3-7H2,1-2H3,(H,15,19)(H,16,20,21)/t9-,10+/m1/s1
InChIKeyAEQKTIPMKRWKPI-ZJUUUORDSA-N
MW352.49 g/mol
LogP2.91
Rot. Bonds6

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

N-[5-[[(1R,3S)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 126600035) has the molecular formula C14H20N6OS2 and a molecular weight of 352.49 g/mol. Its IUPAC name is N-[5-[[(1R,3S)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(1R,3S)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID126600035
Molecular FormulaC14H20N6OS2
Molecular Weight352.49 g/mol
Exact Mass352.11
IUPAC NameN-[5-[[(1R,3S)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCNc1nnc([C@H]2CC[C@@H](Cc3nnc(NC(C)=O)s3)C2)s1
InChIInChI=1S/C14H20N6OS2/c1-3-15-13-19-18-12(23-13)10-5-4-9(6-10)7-11-17-20-14(22-11)16-8(2)21/h9-10H,3-7H2,1-2H3,(H,15,19)(H,16,20,21)/t9-,10+/m1/s1
InChIKeyAEQKTIPMKRWKPI-ZJUUUORDSA-N
XLogP2.91
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.91
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-(ethylamino)-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-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 126600035) is N-[5-[[(1R,3S)-3-[5-(ethylamino)-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-(ethylamino)-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-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide is CCNc1nnc([C@H]2CC[C@@H](Cc3nnc(NC(C)=O)s3)C2)s1.
What is the InChIKey of N-[5-[[(1R,3S)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is AEQKTIPMKRWKPI-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H20N6OS2/c1-3-15-13-19-18-12(23-13)10-5-4-9(6-10)7-11-17-20-14(22-11)16-8(2)21/h9-10H,3-7H2,1-2H3,(H,15,19)(H,16,20,21)/t9-,10+/m1/s1.
What are the key properties of N-[5-[[(1R,3S)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[[(1R,3S)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 352.49 g/mol, XLogP of 2.91, 6 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-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 126600035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).