N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride

C15H16ClF2N3O2S — CID 119317540

IUPACN-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)C1CCCN1
InChIInChI=1S/C15H15F2N3O2S.ClH/c16-14(17)22-12-6-2-1-4-9(12)11-8-23-15(19-11)20-13(21)10-5-3-7-18-10;/h1-2,4,6,8,10,14,18H,3,5,7H2,(H,19,20,21);1H
InChIKeyHQWWPBOOLPPICL-UHFFFAOYSA-N
MW375.83 g/mol
LogP3.52
Rot. Bonds5

About N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride

N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119317540) has the molecular formula C15H16ClF2N3O2S and a molecular weight of 375.83 g/mol. Its IUPAC name is N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119317540
Molecular FormulaC15H16ClF2N3O2S
Molecular Weight375.83 g/mol
Exact Mass375.06
IUPAC NameN-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)C1CCCN1
InChIInChI=1S/C15H15F2N3O2S.ClH/c16-14(17)22-12-6-2-1-4-9(12)11-8-23-15(19-11)20-13(21)10-5-3-7-18-10;/h1-2,4,6,8,10,14,18H,3,5,7H2,(H,19,20,21);1H
InChIKeyHQWWPBOOLPPICL-UHFFFAOYSA-N
XLogP3.52
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119287667
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282737
(2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 103795480
N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 18072813
N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 86885324
(2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61252076
N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 119271224
(2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 61482477
(2R)-N-[1-[2-(difluoromethoxy)phenyl]ethyl]piperidine-2-carboxamide
CID 103808923
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119713316
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 119270252
N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(2-nitroanilino)acetamide
CID 56573359

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride (CID 119317540) is N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)C1CCCN1.
What is the InChIKey of N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is HQWWPBOOLPPICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2S.ClH/c16-14(17)22-12-6-2-1-4-9(12)11-8-23-15(19-11)20-13(21)10-5-3-7-18-10;/h1-2,4,6,8,10,14,18H,3,5,7H2,(H,19,20,21);1H.
What are the key properties of N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 375.83 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119317540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).