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

C20H27N3OS — CID 59542700

IUPACN-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-2,2-dimethyl-N-phenylpropanamide
SMILESCCN(c1nc(CN(C(=O)C(C)(C)C)c2ccccc2)cs1)C1CC1
InChIInChI=1S/C20H27N3OS/c1-5-22(17-11-12-17)19-21-15(14-25-19)13-23(18(24)20(2,3)4)16-9-7-6-8-10-16/h6-10,14,17H,5,11-13H2,1-4H3
InChIKeyISESHHAWJYXAHG-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.71
Rot. Bonds6

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

N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-2,2-dimethyl-N-phenylpropanamide (PubChem CID 59542700) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-2,2-dimethyl-N-phenylpropanamide.

Molecular Properties

Compound NameN-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-2,2-dimethyl-N-phenylpropanamide
PubChem CID59542700
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC NameN-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-2,2-dimethyl-N-phenylpropanamide
SMILESCCN(c1nc(CN(C(=O)C(C)(C)C)c2ccccc2)cs1)C1CC1
InChIInChI=1S/C20H27N3OS/c1-5-22(17-11-12-17)19-21-15(14-25-19)13-23(18(24)20(2,3)4)16-9-7-6-8-10-16/h6-10,14,17H,5,11-13H2,1-4H3
InChIKeyISESHHAWJYXAHG-UHFFFAOYSA-N
XLogP4.71
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.71
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]-2,2-dimethyl-N-phenylpropanamide?
The IUPAC name of N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-2,2-dimethyl-N-phenylpropanamide (CID 59542700) is N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-2,2-dimethyl-N-phenylpropanamide.
What is the SMILES notation for N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-2,2-dimethyl-N-phenylpropanamide?
The canonical SMILES for N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-2,2-dimethyl-N-phenylpropanamide is CCN(c1nc(CN(C(=O)C(C)(C)C)c2ccccc2)cs1)C1CC1.
What is the InChIKey of N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-2,2-dimethyl-N-phenylpropanamide?
The InChIKey is ISESHHAWJYXAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-5-22(17-11-12-17)19-21-15(14-25-19)13-23(18(24)20(2,3)4)16-9-7-6-8-10-16/h6-10,14,17H,5,11-13H2,1-4H3.
What are the key properties of N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-2,2-dimethyl-N-phenylpropanamide?
N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-2,2-dimethyl-N-phenylpropanamide has a molecular weight of 357.52 g/mol, XLogP of 4.71, 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]-2,2-dimethyl-N-phenylpropanamide is sourced from PubChem (CID 59542700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).