N-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]bicyclo[1.1.0]butane-1-carboxamide

C10H9F3N2OS — CID 166430604

IUPACN-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]bicyclo[1.1.0]butane-1-carboxamide
SMILESCc1nc(C(F)(F)F)sc1NC(=O)C12CC1C2
InChIInChI=1S/C10H9F3N2OS/c1-4-6(17-8(14-4)10(11,12)13)15-7(16)9-2-5(9)3-9/h5H,2-3H2,1H3,(H,15,16)
InChIKeyBRCPQKOBABTZDL-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.82
Rot. Bonds2

About N-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]bicyclo[1.1.0]butane-1-carboxamide

N-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]bicyclo[1.1.0]butane-1-carboxamide (PubChem CID 166430604) has the molecular formula C10H9F3N2OS and a molecular weight of 262.26 g/mol. Its IUPAC name is N-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]bicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]bicyclo[1.1.0]butane-1-carboxamide
PubChem CID166430604
Molecular FormulaC10H9F3N2OS
Molecular Weight262.26 g/mol
Exact Mass262.04
IUPAC NameN-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]bicyclo[1.1.0]butane-1-carboxamide
SMILESCc1nc(C(F)(F)F)sc1NC(=O)C12CC1C2
InChIInChI=1S/C10H9F3N2OS/c1-4-6(17-8(14-4)10(11,12)13)15-7(16)9-2-5(9)3-9/h5H,2-3H2,1H3,(H,15,16)
InChIKeyBRCPQKOBABTZDL-UHFFFAOYSA-N
XLogP2.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]bicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]bicyclo[1.1.0]butane-1-carboxamide (CID 166430604) is N-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]bicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]bicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]bicyclo[1.1.0]butane-1-carboxamide is Cc1nc(C(F)(F)F)sc1NC(=O)C12CC1C2.
What is the InChIKey of N-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]bicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is BRCPQKOBABTZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2OS/c1-4-6(17-8(14-4)10(11,12)13)15-7(16)9-2-5(9)3-9/h5H,2-3H2,1H3,(H,15,16).
What are the key properties of N-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]bicyclo[1.1.0]butane-1-carboxamide?
N-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]bicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 262.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]bicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 166430604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).