(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide

C14H13F3N2O2S2 — CID 29440254

IUPAC(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCc1csc(S[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C14H13F3N2O2S2/c1-8-7-22-13(18-8)23-9(2)12(20)19-10-3-5-11(6-4-10)21-14(15,16)17/h3-7,9H,1-2H3,(H,19,20)/t9-/m0/s1
InChIKeyHRXQHVIUUJCDFF-VIFPVBQESA-N
MW362.40 g/mol
LogP4.47
Rot. Bonds5

About (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide

(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 29440254) has the molecular formula C14H13F3N2O2S2 and a molecular weight of 362.40 g/mol. Its IUPAC name is (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID29440254
Molecular FormulaC14H13F3N2O2S2
Molecular Weight362.40 g/mol
Exact Mass362.04
IUPAC Name(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCc1csc(S[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C14H13F3N2O2S2/c1-8-7-22-13(18-8)23-9(2)12(20)19-10-3-5-11(6-4-10)21-14(15,16)17/h3-7,9H,1-2H3,(H,19,20)/t9-/m0/s1
InChIKeyHRXQHVIUUJCDFF-VIFPVBQESA-N
XLogP4.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 29440254) is (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide is Cc1csc(S[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is HRXQHVIUUJCDFF-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13F3N2O2S2/c1-8-7-22-13(18-8)23-9(2)12(20)19-10-3-5-11(6-4-10)21-14(15,16)17/h3-7,9H,1-2H3,(H,19,20)/t9-/m0/s1.
What are the key properties of (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide?
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 362.40 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 29440254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).