N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-N-(2-fluorophenyl)-2,2-dimethylpropanamide

C20H26FN3OS — CID 59542657

IUPACN-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-N-(2-fluorophenyl)-2,2-dimethylpropanamide
SMILESCCN(c1nc(CN(C(=O)C(C)(C)C)c2ccccc2F)cs1)C1CC1
InChIInChI=1S/C20H26FN3OS/c1-5-23(15-10-11-15)19-22-14(13-26-19)12-24(18(25)20(2,3)4)17-9-7-6-8-16(17)21/h6-9,13,15H,5,10-12H2,1-4H3
InChIKeyDPDDQKLEXJXUAX-UHFFFAOYSA-N
MW375.51 g/mol
LogP4.85
Rot. Bonds6

About N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-N-(2-fluorophenyl)-2,2-dimethylpropanamide

N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-N-(2-fluorophenyl)-2,2-dimethylpropanamide (PubChem CID 59542657) has the molecular formula C20H26FN3OS and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-N-(2-fluorophenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-N-(2-fluorophenyl)-2,2-dimethylpropanamide
PubChem CID59542657
Molecular FormulaC20H26FN3OS
Molecular Weight375.51 g/mol
Exact Mass375.18
IUPAC NameN-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-N-(2-fluorophenyl)-2,2-dimethylpropanamide
SMILESCCN(c1nc(CN(C(=O)C(C)(C)C)c2ccccc2F)cs1)C1CC1
InChIInChI=1S/C20H26FN3OS/c1-5-23(15-10-11-15)19-22-14(13-26-19)12-24(18(25)20(2,3)4)17-9-7-6-8-16(17)21/h6-9,13,15H,5,10-12H2,1-4H3
InChIKeyDPDDQKLEXJXUAX-UHFFFAOYSA-N
XLogP4.85
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-N-(2-fluorophenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-N-(2-fluorophenyl)-2,2-dimethylpropanamide (CID 59542657) is N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-N-(2-fluorophenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-N-(2-fluorophenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-N-(2-fluorophenyl)-2,2-dimethylpropanamide is CCN(c1nc(CN(C(=O)C(C)(C)C)c2ccccc2F)cs1)C1CC1.
What is the InChIKey of N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-N-(2-fluorophenyl)-2,2-dimethylpropanamide?
The InChIKey is DPDDQKLEXJXUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3OS/c1-5-23(15-10-11-15)19-22-14(13-26-19)12-24(18(25)20(2,3)4)17-9-7-6-8-16(17)21/h6-9,13,15H,5,10-12H2,1-4H3.
What are the key properties of N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-N-(2-fluorophenyl)-2,2-dimethylpropanamide?
N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-N-(2-fluorophenyl)-2,2-dimethylpropanamide has a molecular weight of 375.51 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-N-(2-fluorophenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 59542657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).