N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4,4,4-trifluorobutanamide

C16H23F3N2OS — CID 59865954

IUPACN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4,4,4-trifluorobutanamide
SMILESCc1c(C(C)(C)C)s/c(=N\C(=O)CCC(F)(F)F)n1CC1CC1
InChIInChI=1S/C16H23F3N2OS/c1-10-13(15(2,3)4)23-14(21(10)9-11-5-6-11)20-12(22)7-8-16(17,18)19/h11H,5-9H2,1-4H3/b20-14-
InChIKeyMUHMJMJZRJEDEV-ZHZULCJRSA-N
MW348.43 g/mol
LogP4.34
Rot. Bonds4

About N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4,4,4-trifluorobutanamide

N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4,4,4-trifluorobutanamide (PubChem CID 59865954) has the molecular formula C16H23F3N2OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4,4,4-trifluorobutanamide
PubChem CID59865954
Molecular FormulaC16H23F3N2OS
Molecular Weight348.43 g/mol
Exact Mass348.15
IUPAC NameN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4,4,4-trifluorobutanamide
SMILESCc1c(C(C)(C)C)s/c(=N\C(=O)CCC(F)(F)F)n1CC1CC1
InChIInChI=1S/C16H23F3N2OS/c1-10-13(15(2,3)4)23-14(21(10)9-11-5-6-11)20-12(22)7-8-16(17,18)19/h11H,5-9H2,1-4H3/b20-14-
InChIKeyMUHMJMJZRJEDEV-ZHZULCJRSA-N
XLogP4.34
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4,4,4-trifluorobutanamide (CID 59865954) is N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4,4,4-trifluorobutanamide is Cc1c(C(C)(C)C)s/c(=N\C(=O)CCC(F)(F)F)n1CC1CC1.
What is the InChIKey of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4,4,4-trifluorobutanamide?
The InChIKey is MUHMJMJZRJEDEV-ZHZULCJRSA-N. The full InChI is InChI=1S/C16H23F3N2OS/c1-10-13(15(2,3)4)23-14(21(10)9-11-5-6-11)20-12(22)7-8-16(17,18)19/h11H,5-9H2,1-4H3/b20-14-.
What are the key properties of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4,4,4-trifluorobutanamide?
N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4,4,4-trifluorobutanamide has a molecular weight of 348.43 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 59865954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).