N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide

C16H14ClF3N2OS — CID 43836598

IUPACN-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCc1nc(NC(=O)C2CC2)sc1Cc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H14ClF3N2OS/c1-8-13(24-15(21-8)22-14(23)9-2-3-9)7-10-6-11(16(18,19)20)4-5-12(10)17/h4-6,9H,2-3,7H2,1H3,(H,21,22,23)
InChIKeyBEJCZUFTNLJQET-UHFFFAOYSA-N
MW374.82 g/mol
LogP5.06
Rot. Bonds4

About N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 43836598) has the molecular formula C16H14ClF3N2OS and a molecular weight of 374.82 g/mol. Its IUPAC name is N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID43836598
Molecular FormulaC16H14ClF3N2OS
Molecular Weight374.82 g/mol
Exact Mass374.05
IUPAC NameN-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCc1nc(NC(=O)C2CC2)sc1Cc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H14ClF3N2OS/c1-8-13(24-15(21-8)22-14(23)9-2-3-9)7-10-6-11(16(18,19)20)4-5-12(10)17/h4-6,9H,2-3,7H2,1H3,(H,21,22,23)
InChIKeyBEJCZUFTNLJQET-UHFFFAOYSA-N
XLogP5.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.82
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 43836598) is N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide is Cc1nc(NC(=O)C2CC2)sc1Cc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is BEJCZUFTNLJQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2OS/c1-8-13(24-15(21-8)22-14(23)9-2-3-9)7-10-6-11(16(18,19)20)4-5-12(10)17/h4-6,9H,2-3,7H2,1H3,(H,21,22,23).
What are the key properties of N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 374.82 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 43836598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).