1-[2-[cyclopropyl(2-methylpropyl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C17H26N4O2S — CID 126792661

IUPAC1-[2-[cyclopropyl(2-methylpropyl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCC(C)CN(C(=O)CN1CCCC1C(=O)Nc1nccs1)C1CC1
InChIInChI=1S/C17H26N4O2S/c1-12(2)10-21(13-5-6-13)15(22)11-20-8-3-4-14(20)16(23)19-17-18-7-9-24-17/h7,9,12-14H,3-6,8,10-11H2,1-2H3,(H,18,19,23)
InChIKeyNBMTVYUPFIMARY-UHFFFAOYSA-N
MW350.49 g/mol
LogP2.19
Rot. Bonds7

About 1-[2-[cyclopropyl(2-methylpropyl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

1-[2-[cyclopropyl(2-methylpropyl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 126792661) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(2-methylpropyl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[cyclopropyl(2-methylpropyl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID126792661
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name1-[2-[cyclopropyl(2-methylpropyl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCC(C)CN(C(=O)CN1CCCC1C(=O)Nc1nccs1)C1CC1
InChIInChI=1S/C17H26N4O2S/c1-12(2)10-21(13-5-6-13)15(22)11-20-8-3-4-14(20)16(23)19-17-18-7-9-24-17/h7,9,12-14H,3-6,8,10-11H2,1-2H3,(H,18,19,23)
InChIKeyNBMTVYUPFIMARY-UHFFFAOYSA-N
XLogP2.19
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-anilino-2-oxoethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 118634244
N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 154748675
N-(3,5-dichlorophenyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 55628088
1-(4-aminopentanoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 120564792
(2S)-1-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95274519
methyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate
CID 79833913
N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 120752679
1-N-(4-fluorophenyl)-1-N-methyl-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 86818508
(2R)-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95627748
N',N'-bis(2-methylpropyl)-N-(1,3-thiazol-2-yl)oxamide
CID 47263950
1-[4-(2-methylpropanoylamino)benzoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55669534

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(2-methylpropyl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[cyclopropyl(2-methylpropyl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 126792661) is 1-[2-[cyclopropyl(2-methylpropyl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[cyclopropyl(2-methylpropyl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[cyclopropyl(2-methylpropyl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is CC(C)CN(C(=O)CN1CCCC1C(=O)Nc1nccs1)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(2-methylpropyl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is NBMTVYUPFIMARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-12(2)10-21(13-5-6-13)15(22)11-20-8-3-4-14(20)16(23)19-17-18-7-9-24-17/h7,9,12-14H,3-6,8,10-11H2,1-2H3,(H,18,19,23).
What are the key properties of 1-[2-[cyclopropyl(2-methylpropyl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
1-[2-[cyclopropyl(2-methylpropyl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 350.49 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(2-methylpropyl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 126792661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).