N-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

C18H24N2O2S — CID 70740526

IUPACN-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1cccc(C)c1OCC(C)NC(=O)CCc1scnc1C
InChIInChI=1S/C18H24N2O2S/c1-12-6-5-7-13(2)18(12)22-10-14(3)20-17(21)9-8-16-15(4)19-11-23-16/h5-7,11,14H,8-10H2,1-4H3,(H,20,21)
InChIKeyTUGQSFSCRKRKMY-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.58
Rot. Bonds7

About N-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

N-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (PubChem CID 70740526) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
PubChem CID70740526
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1cccc(C)c1OCC(C)NC(=O)CCc1scnc1C
InChIInChI=1S/C18H24N2O2S/c1-12-6-5-7-13(2)18(12)22-10-14(3)20-17(21)9-8-16-15(4)19-11-23-16/h5-7,11,14H,8-10H2,1-4H3,(H,20,21)
InChIKeyTUGQSFSCRKRKMY-UHFFFAOYSA-N
XLogP3.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119745978
3-[bis(2-hydroxyethyl)amino]-N-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]propanamide
CID 102200968
(2R)-3-methyl-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]butanamide
CID 74243450
2-(2-chlorophenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]acetic acid
CID 72887014
2-(cyclopropylmethylamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide;hydrochloride
CID 119745985
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide
CID 139460648
5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide
CID 3668905
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 115283597
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride
CID 164614215
[2-[1-(2,6-dimethylphenoxy)propan-2-ylamino]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 3867912
1-[(2R)-1-(3-methylphenoxy)propan-2-yl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 95761083
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide
CID 95165188

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (CID 70740526) is N-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is Cc1cccc(C)c1OCC(C)NC(=O)CCc1scnc1C.
What is the InChIKey of N-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is TUGQSFSCRKRKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-12-6-5-7-13(2)18(12)22-10-14(3)20-17(21)9-8-16-15(4)19-11-23-16/h5-7,11,14H,8-10H2,1-4H3,(H,20,21).
What are the key properties of N-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 332.47 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 70740526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).