(3R)-1-cyclohexyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

C16H24N4O3S — CID 7354604

IUPAC(3R)-1-cyclohexyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOCc1nnc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)s1
InChIInChI=1S/C16H24N4O3S/c1-2-23-10-13-18-19-16(24-13)17-15(22)11-8-14(21)20(9-11)12-6-4-3-5-7-12/h11-12H,2-10H2,1H3,(H,17,19,22)/t11-/m1/s1
InChIKeyDCQIHXAOMGWDHM-LLVKDONJSA-N
MW352.46 g/mol
LogP2.19
Rot. Bonds6

About (3R)-1-cyclohexyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-cyclohexyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 7354604) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is (3R)-1-cyclohexyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclohexyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID7354604
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name(3R)-1-cyclohexyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOCc1nnc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)s1
InChIInChI=1S/C16H24N4O3S/c1-2-23-10-13-18-19-16(24-13)17-15(22)11-8-14(21)20(9-11)12-6-4-3-5-7-12/h11-12H,2-10H2,1H3,(H,17,19,22)/t11-/m1/s1
InChIKeyDCQIHXAOMGWDHM-LLVKDONJSA-N
XLogP2.19
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclohexyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclohexyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 7354604) is (3R)-1-cyclohexyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclohexyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclohexyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is CCOCc1nnc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)s1.
What is the InChIKey of (3R)-1-cyclohexyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DCQIHXAOMGWDHM-LLVKDONJSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-2-23-10-13-18-19-16(24-13)17-15(22)11-8-14(21)20(9-11)12-6-4-3-5-7-12/h11-12H,2-10H2,1H3,(H,17,19,22)/t11-/m1/s1.
What are the key properties of (3R)-1-cyclohexyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-cyclohexyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclohexyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 7354604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).