2-methylpropane;N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]formamide

C10H15F3N2OS — CID 166529024

IUPAC2-methylpropane;N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]formamide
SMILESCC(C)C.O=CNCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C6H5F3N2OS.C4H10/c7-6(8,9)4-2-13-5(11-4)1-10-3-12;1-4(2)3/h2-3H,1H2,(H,10,12);4H,1-3H3
InChIKeyRKDZMGJKUDJXIX-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.07
Rot. Bonds3

About 2-methylpropane;N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]formamide

2-methylpropane;N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]formamide (PubChem CID 166529024) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-methylpropane;N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]formamide.

Molecular Properties

Compound Name2-methylpropane;N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]formamide
PubChem CID166529024
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC Name2-methylpropane;N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]formamide
SMILESCC(C)C.O=CNCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C6H5F3N2OS.C4H10/c7-6(8,9)4-2-13-5(11-4)1-10-3-12;1-4(2)3/h2-3H,1H2,(H,10,12);4H,1-3H3
InChIKeyRKDZMGJKUDJXIX-UHFFFAOYSA-N
XLogP3.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Methyl(((4-(trifluoromethyl)-1,3-thiazol-2-yl)methyl))amine
CID 3353222
2-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide
CID 71993342
N-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 71986783
1-[3-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]azetidin-1-yl]ethanone
CID 164633629
tert-Butyl N-[[4-(difluoromethyl)thiazol-2-yl]methyl]carbamate
CID 22916716
2,2,2-trifluoro-N-[2-(4-methyl-thiazol-2-yl)-ethyl]-acetamide
CID 39072071
N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62544979
4-methyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-2-carboxamide
CID 123752281
N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 156513582
2-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide
CID 156794408
Formamide;2-methyl-4-(trifluoromethyl)-1,3-thiazole
CID 161450450
ethane;N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
CID 176995472

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]formamide?
The IUPAC name of 2-methylpropane;N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]formamide (CID 166529024) is 2-methylpropane;N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]formamide.
What is the SMILES notation for 2-methylpropane;N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]formamide?
The canonical SMILES for 2-methylpropane;N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]formamide is CC(C)C.O=CNCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-methylpropane;N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]formamide?
The InChIKey is RKDZMGJKUDJXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2OS.C4H10/c7-6(8,9)4-2-13-5(11-4)1-10-3-12;1-4(2)3/h2-3H,1H2,(H,10,12);4H,1-3H3.
What are the key properties of 2-methylpropane;N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]formamide?
2-methylpropane;N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]formamide has a molecular weight of 268.30 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]formamide is sourced from PubChem (CID 166529024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).