N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide

C21H23N3OS — CID 110397871

IUPACN-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide
SMILESCNc1nc(CCNC(=O)CC(c2ccccc2)c2ccccc2)cs1
InChIInChI=1S/C21H23N3OS/c1-22-21-24-18(15-26-21)12-13-23-20(25)14-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15,19H,12-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyWQANRMQYJAXKHU-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.07
Rot. Bonds8

About N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide

N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide (PubChem CID 110397871) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide
PubChem CID110397871
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide
SMILESCNc1nc(CCNC(=O)CC(c2ccccc2)c2ccccc2)cs1
InChIInChI=1S/C21H23N3OS/c1-22-21-24-18(15-26-21)12-13-23-20(25)14-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15,19H,12-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyWQANRMQYJAXKHU-UHFFFAOYSA-N
XLogP4.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-2,2-diphenylacetamide
CID 110397867
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
CID 110397880
1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea
CID 110397891
1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea
CID 110397912
3-(2-methoxyphenyl)-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]propanamide
CID 110397933
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide
CID 110620271
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110717408
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-1-phenylmethanesulfonamide
CID 110397975
3,3-diphenyl-N-propylpropanamide
CID 4638647
3,4-dimethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110397866
3-cyclopropyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110305224
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]adamantane-1-carboxamide
CID 110397924

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide (CID 110397871) is N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide is CNc1nc(CCNC(=O)CC(c2ccccc2)c2ccccc2)cs1.
What is the InChIKey of N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide?
The InChIKey is WQANRMQYJAXKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-22-21-24-18(15-26-21)12-13-23-20(25)14-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15,19H,12-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide?
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide has a molecular weight of 365.50 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 110397871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).