3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-1-(naphthalen-2-ylmethyl)urea

C20H23N3OS — CID 71889621

IUPAC3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-1-(naphthalen-2-ylmethyl)urea
SMILESCc1nc(C)c(C(C)NC(=O)N(C)Cc2ccc3ccccc3c2)s1
InChIInChI=1S/C20H23N3OS/c1-13-19(25-15(3)21-13)14(2)22-20(24)23(4)12-16-9-10-17-7-5-6-8-18(17)11-16/h5-11,14H,12H2,1-4H3,(H,22,24)
InChIKeyGFUJLLHGJFGHEQ-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.82
Rot. Bonds4

About 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-1-(naphthalen-2-ylmethyl)urea

3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-1-(naphthalen-2-ylmethyl)urea (PubChem CID 71889621) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-1-(naphthalen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-1-(naphthalen-2-ylmethyl)urea
PubChem CID71889621
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-1-(naphthalen-2-ylmethyl)urea
SMILESCc1nc(C)c(C(C)NC(=O)N(C)Cc2ccc3ccccc3c2)s1
InChIInChI=1S/C20H23N3OS/c1-13-19(25-15(3)21-13)14(2)22-20(24)23(4)12-16-9-10-17-7-5-6-8-18(17)11-16/h5-11,14H,12H2,1-4H3,(H,22,24)
InChIKeyGFUJLLHGJFGHEQ-UHFFFAOYSA-N
XLogP4.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-[(2-hydroxyphenyl)methyl]-1-methylurea
CID 94670347
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107025586
3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea
CID 34711127
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 62822382
4-(chloromethyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 61192187
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-dihydroxybenzamide
CID 104938902
(2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide
CID 79013131
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]furan-2-carboxamide
CID 47317372
2-amino-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide
CID 61264255
3-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]thiophene-2-carboxamide
CID 47317475
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 171132761
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 47067601

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-1-(naphthalen-2-ylmethyl)urea?
The IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-1-(naphthalen-2-ylmethyl)urea (CID 71889621) is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-1-(naphthalen-2-ylmethyl)urea.
What is the SMILES notation for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-1-(naphthalen-2-ylmethyl)urea?
The canonical SMILES for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-1-(naphthalen-2-ylmethyl)urea is Cc1nc(C)c(C(C)NC(=O)N(C)Cc2ccc3ccccc3c2)s1.
What is the InChIKey of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-1-(naphthalen-2-ylmethyl)urea?
The InChIKey is GFUJLLHGJFGHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-13-19(25-15(3)21-13)14(2)22-20(24)23(4)12-16-9-10-17-7-5-6-8-18(17)11-16/h5-11,14H,12H2,1-4H3,(H,22,24).
What are the key properties of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-1-(naphthalen-2-ylmethyl)urea?
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-1-(naphthalen-2-ylmethyl)urea has a molecular weight of 353.49 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-1-(naphthalen-2-ylmethyl)urea is sourced from PubChem (CID 71889621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).