N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide

C18H21N3O2S — CID 166013202

IUPACN-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide
SMILESCc1ncsc1-c1ccc(C2(NC(=O)C3CCCN3)CC2O)cc1
InChIInChI=1S/C18H21N3O2S/c1-11-16(24-10-20-11)12-4-6-13(7-5-12)18(9-15(18)22)21-17(23)14-3-2-8-19-14/h4-7,10,14-15,19,22H,2-3,8-9H2,1H3,(H,21,23)
InChIKeyJSIGUZOXPQGECM-UHFFFAOYSA-N
MW343.45 g/mol
LogP1.95
Rot. Bonds4

About N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide

N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide (PubChem CID 166013202) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide
PubChem CID166013202
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide
SMILESCc1ncsc1-c1ccc(C2(NC(=O)C3CCCN3)CC2O)cc1
InChIInChI=1S/C18H21N3O2S/c1-11-16(24-10-20-11)12-4-6-13(7-5-12)18(9-15(18)22)21-17(23)14-3-2-8-19-14/h4-7,10,14-15,19,22H,2-3,8-9H2,1H3,(H,21,23)
InChIKeyJSIGUZOXPQGECM-UHFFFAOYSA-N
XLogP1.95
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 169040403
N-[1-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 153454032
N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 166545609
N-[(1S)-1-[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 153320559
(4S)-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazol-5-one
CID 142572668
4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]pyrrolidine-2-carboxamide
CID 175840543
(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 126619720
tert-butyl N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclobutyl]carbamate
CID 175356304
(2S,4R)-4-methyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 178004749
N-[1-(4-fluorophenyl)cyclobutyl]pyrrolidine-2-carboxamide
CID 110461393
(3S)-3-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoic acid
CID 170156064
N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 18072813

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide (CID 166013202) is N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide is Cc1ncsc1-c1ccc(C2(NC(=O)C3CCCN3)CC2O)cc1.
What is the InChIKey of N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide?
The InChIKey is JSIGUZOXPQGECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-11-16(24-10-20-11)12-4-6-13(7-5-12)18(9-15(18)22)21-17(23)14-3-2-8-19-14/h4-7,10,14-15,19,22H,2-3,8-9H2,1H3,(H,21,23).
What are the key properties of N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide?
N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 166013202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).