1-cyclopropyl-N-[[1-(5-methyl-1,3,4-thiadiazole-2-carbonyl)azetidin-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide

C16H21N5O3S — CID 167892738

IUPAC1-cyclopropyl-N-[[1-(5-methyl-1,3,4-thiadiazole-2-carbonyl)azetidin-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1nnc(C(=O)N2CC(CNC(=O)C3CCC(=O)N3C3CC3)C2)s1
InChIInChI=1S/C16H21N5O3S/c1-9-18-19-15(25-9)16(24)20-7-10(8-20)6-17-14(23)12-4-5-13(22)21(12)11-2-3-11/h10-12H,2-8H2,1H3,(H,17,23)
InChIKeyLSBLPUADVKCYRX-UHFFFAOYSA-N
MW363.44 g/mol
LogP0.19
Rot. Bonds5

About 1-cyclopropyl-N-[[1-(5-methyl-1,3,4-thiadiazole-2-carbonyl)azetidin-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide

1-cyclopropyl-N-[[1-(5-methyl-1,3,4-thiadiazole-2-carbonyl)azetidin-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 167892738) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[1-(5-methyl-1,3,4-thiadiazole-2-carbonyl)azetidin-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[[1-(5-methyl-1,3,4-thiadiazole-2-carbonyl)azetidin-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID167892738
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name1-cyclopropyl-N-[[1-(5-methyl-1,3,4-thiadiazole-2-carbonyl)azetidin-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1nnc(C(=O)N2CC(CNC(=O)C3CCC(=O)N3C3CC3)C2)s1
InChIInChI=1S/C16H21N5O3S/c1-9-18-19-15(25-9)16(24)20-7-10(8-20)6-17-14(23)12-4-5-13(22)21(12)11-2-3-11/h10-12H,2-8H2,1H3,(H,17,23)
InChIKeyLSBLPUADVKCYRX-UHFFFAOYSA-N
XLogP0.19
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-1-(5-methyl-1,3,4-thiadiazole-2-carbonyl)pyrrolidine-3-sulfonamide
CID 154738206
1-cyclohexyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-2-carboxamide
CID 5151180
(2S)-5-oxo-1-piperidin-4-yl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 99727906
(5-methyl-1,3,4-thiadiazol-2-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 127850790
5-methyl-1,3,4-thiadiazole-2-carbohydrazide
CID 130690461
5-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624883
1-cyclopentyl-N-cyclopropyl-5-oxopyrrolidine-2-carboxamide
CID 3237546
(2S)-N-benzyl-1-[1-(4-methylpentanoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 164636115
(3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97150664
3-[(carbamoylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 47263455
N-[1-(dimethylamino)ethyl]-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide
CID 70429426
(3S,8S)-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxylic acid
CID 45082702

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[1-(5-methyl-1,3,4-thiadiazole-2-carbonyl)azetidin-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[[1-(5-methyl-1,3,4-thiadiazole-2-carbonyl)azetidin-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide (CID 167892738) is 1-cyclopropyl-N-[[1-(5-methyl-1,3,4-thiadiazole-2-carbonyl)azetidin-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[[1-(5-methyl-1,3,4-thiadiazole-2-carbonyl)azetidin-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[[1-(5-methyl-1,3,4-thiadiazole-2-carbonyl)azetidin-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide is Cc1nnc(C(=O)N2CC(CNC(=O)C3CCC(=O)N3C3CC3)C2)s1.
What is the InChIKey of 1-cyclopropyl-N-[[1-(5-methyl-1,3,4-thiadiazole-2-carbonyl)azetidin-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is LSBLPUADVKCYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-9-18-19-15(25-9)16(24)20-7-10(8-20)6-17-14(23)12-4-5-13(22)21(12)11-2-3-11/h10-12H,2-8H2,1H3,(H,17,23).
What are the key properties of 1-cyclopropyl-N-[[1-(5-methyl-1,3,4-thiadiazole-2-carbonyl)azetidin-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
1-cyclopropyl-N-[[1-(5-methyl-1,3,4-thiadiazole-2-carbonyl)azetidin-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[1-(5-methyl-1,3,4-thiadiazole-2-carbonyl)azetidin-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 167892738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).