1-(4-ethyl-1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]urea

C17H17N5OS2 — CID 154858236

IUPAC1-(4-ethyl-1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]urea
SMILESCCc1csc(NC(=O)Nc2cccc3c2CN(c2nccs2)C3)n1
InChIInChI=1S/C17H17N5OS2/c1-2-12-10-25-16(19-12)21-15(23)20-14-5-3-4-11-8-22(9-13(11)14)17-18-6-7-24-17/h3-7,10H,2,8-9H2,1H3,(H2,19,20,21,23)
InChIKeyHDVZUSVRDZGOQZ-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.33
Rot. Bonds4

About 1-(4-ethyl-1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]urea

1-(4-ethyl-1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]urea (PubChem CID 154858236) has the molecular formula C17H17N5OS2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-(4-ethyl-1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]urea.

Molecular Properties

Compound Name1-(4-ethyl-1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]urea
PubChem CID154858236
Molecular FormulaC17H17N5OS2
Molecular Weight371.49 g/mol
Exact Mass371.09
IUPAC Name1-(4-ethyl-1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]urea
SMILESCCc1csc(NC(=O)Nc2cccc3c2CN(c2nccs2)C3)n1
InChIInChI=1S/C17H17N5OS2/c1-2-12-10-25-16(19-12)21-15(23)20-14-5-3-4-11-8-22(9-13(11)14)17-18-6-7-24-17/h3-7,10H,2,8-9H2,1H3,(H2,19,20,21,23)
InChIKeyHDVZUSVRDZGOQZ-UHFFFAOYSA-N
XLogP4.33
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]carbamoylamino]pyrazol-1-yl]acetamide
CID 166234009
1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]urea
CID 71907606
1-[(3R)-3-methylpiperidin-1-yl]-2-[[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]amino]ethanone
CID 97092380
N-(1-pyridin-4-ylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-amine
CID 167902629
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 41158668
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CID 136577902
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CID 27451343
2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid
CID 16772505
N-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 36871528
2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide
CID 18567678
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide
CID 27542821
1-(2,1,3-benzothiadiazol-4-yl)-3-[4-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]urea?
The IUPAC name of 1-(4-ethyl-1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]urea (CID 154858236) is 1-(4-ethyl-1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]urea.
What is the SMILES notation for 1-(4-ethyl-1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]urea?
The canonical SMILES for 1-(4-ethyl-1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]urea is CCc1csc(NC(=O)Nc2cccc3c2CN(c2nccs2)C3)n1.
What is the InChIKey of 1-(4-ethyl-1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]urea?
The InChIKey is HDVZUSVRDZGOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS2/c1-2-12-10-25-16(19-12)21-15(23)20-14-5-3-4-11-8-22(9-13(11)14)17-18-6-7-24-17/h3-7,10H,2,8-9H2,1H3,(H2,19,20,21,23).
What are the key properties of 1-(4-ethyl-1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]urea?
1-(4-ethyl-1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]urea has a molecular weight of 371.49 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-yl]urea is sourced from PubChem (CID 154858236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).