(1R)-2,2-difluoro-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

C8H8F2N2OS — CID 164641547

IUPAC(1R)-2,2-difluoro-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCc1csc(NC(=O)[C@H]2CC2(F)F)n1
InChIInChI=1S/C8H8F2N2OS/c1-4-3-14-7(11-4)12-6(13)5-2-8(5,9)10/h3,5H,2H2,1H3,(H,11,12,13)/t5-/m1/s1
InChIKeyRFTDTWORXHLKST-RXMQYKEDSA-N
MW218.23 g/mol
LogP2.05
Rot. Bonds2

About (1R)-2,2-difluoro-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

(1R)-2,2-difluoro-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 164641547) has the molecular formula C8H8F2N2OS and a molecular weight of 218.23 g/mol. Its IUPAC name is (1R)-2,2-difluoro-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-difluoro-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID164641547
Molecular FormulaC8H8F2N2OS
Molecular Weight218.23 g/mol
Exact Mass218.03
IUPAC Name(1R)-2,2-difluoro-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCc1csc(NC(=O)[C@H]2CC2(F)F)n1
InChIInChI=1S/C8H8F2N2OS/c1-4-3-14-7(11-4)12-6(13)5-2-8(5,9)10/h3,5H,2H2,1H3,(H,11,12,13)/t5-/m1/s1
InChIKeyRFTDTWORXHLKST-RXMQYKEDSA-N
XLogP2.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-difluoro-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (CID 164641547) is (1R)-2,2-difluoro-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-difluoro-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-difluoro-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is Cc1csc(NC(=O)[C@H]2CC2(F)F)n1.
What is the InChIKey of (1R)-2,2-difluoro-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is RFTDTWORXHLKST-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H8F2N2OS/c1-4-3-14-7(11-4)12-6(13)5-2-8(5,9)10/h3,5H,2H2,1H3,(H,11,12,13)/t5-/m1/s1.
What are the key properties of (1R)-2,2-difluoro-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
(1R)-2,2-difluoro-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 218.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 164641547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).