cis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylate

C13H18N3O3S- — CID 6920772

IUPACcis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylate
SMILESCc1nnc(NC(=O)[C@@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)s1
InChIInChI=1S/C13H19N3O3S/c1-7-15-16-11(20-7)14-9(17)8-5-6-13(4,10(18)19)12(8,2)3/h8H,5-6H2,1-4H3,(H,18,19)(H,14,16,17)/p-1/t8-,13-/m0/s1
InChIKeyRRCVKNDENKFZJJ-SDBXPKJASA-M
MW296.37 g/mol
LogP0.98
Rot. Bonds3

About cis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylate

cis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylate (PubChem CID 6920772) has the molecular formula C13H18N3O3S- and a molecular weight of 296.37 g/mol. Its IUPAC name is cis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylate
PubChem CID6920772
Molecular FormulaC13H18N3O3S-
Molecular Weight296.37 g/mol
Exact Mass296.11
IUPAC Namecis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylate
SMILESCc1nnc(NC(=O)[C@@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)s1
InChIInChI=1S/C13H19N3O3S/c1-7-15-16-11(20-7)14-9(17)8-5-6-13(4,10(18)19)12(8,2)3/h8H,5-6H2,1-4H3,(H,18,19)(H,14,16,17)/p-1/t8-,13-/m0/s1
InChIKeyRRCVKNDENKFZJJ-SDBXPKJASA-M
XLogP0.98
TPSA95.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylate?
The IUPAC name of cis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylate (CID 6920772) is cis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for cis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for cis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylate is Cc1nnc(NC(=O)[C@@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)s1.
What is the InChIKey of cis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylate?
The InChIKey is RRCVKNDENKFZJJ-SDBXPKJASA-M. The full InChI is InChI=1S/C13H19N3O3S/c1-7-15-16-11(20-7)14-9(17)8-5-6-13(4,10(18)19)12(8,2)3/h8H,5-6H2,1-4H3,(H,18,19)(H,14,16,17)/p-1/t8-,13-/m0/s1.
What are the key properties of cis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylate?
cis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 6920772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).