4,4-difluoro-N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide

C14H15F2N3OS2 — CID 120954783

IUPAC4,4-difluoro-N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)C3CC(F)(F)CN3)sc2C)s1
InChIInChI=1S/C14H15F2N3OS2/c1-7-3-4-10(21-7)11-8(2)22-13(18-11)19-12(20)9-5-14(15,16)6-17-9/h3-4,9,17H,5-6H2,1-2H3,(H,18,19,20)
InChIKeyBWFWNRICQBIGPE-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.42
Rot. Bonds3

About 4,4-difluoro-N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide

4,4-difluoro-N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 120954783) has the molecular formula C14H15F2N3OS2 and a molecular weight of 343.42 g/mol. Its IUPAC name is 4,4-difluoro-N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID120954783
Molecular FormulaC14H15F2N3OS2
Molecular Weight343.42 g/mol
Exact Mass343.06
IUPAC Name4,4-difluoro-N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)C3CC(F)(F)CN3)sc2C)s1
InChIInChI=1S/C14H15F2N3OS2/c1-7-3-4-10(21-7)11-8(2)22-13(18-11)19-12(20)9-5-14(15,16)6-17-9/h3-4,9,17H,5-6H2,1-2H3,(H,18,19,20)
InChIKeyBWFWNRICQBIGPE-UHFFFAOYSA-N
XLogP3.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119774699
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119266977
4,4-difluoro-N-(3-fluoro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 120955050
(2S)-4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 59436448
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119293306
N-(5-tert-butyl-2-hydroxyphenyl)-4,4-difluoropyrrolidine-2-carboxamide
CID 120954679
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119266983
4,4-difluoro-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 120954872
4,4-difluoro-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120955356
N-[(5-chloro-2-pyridinyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120955436
N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 119271224
N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 861899

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 4,4-difluoro-N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide (CID 120954783) is 4,4-difluoro-N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide is Cc1ccc(-c2nc(NC(=O)C3CC(F)(F)CN3)sc2C)s1.
What is the InChIKey of 4,4-difluoro-N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is BWFWNRICQBIGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3OS2/c1-7-3-4-10(21-7)11-8(2)22-13(18-11)19-12(20)9-5-14(15,16)6-17-9/h3-4,9,17H,5-6H2,1-2H3,(H,18,19,20).
What are the key properties of 4,4-difluoro-N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
4,4-difluoro-N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 120954783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).