1-propan-2-yl-3-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]urea

C10H15N5OS — CID 110748474

IUPAC1-propan-2-yl-3-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]urea
SMILESCC(C)NC(=O)NCCc1csc2nncn12
InChIInChI=1S/C10H15N5OS/c1-7(2)13-9(16)11-4-3-8-5-17-10-14-12-6-15(8)10/h5-7H,3-4H2,1-2H3,(H2,11,13,16)
InChIKeyJFMXWSVAKGQRKI-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.04
Rot. Bonds4

About 1-propan-2-yl-3-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]urea

1-propan-2-yl-3-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]urea (PubChem CID 110748474) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-propan-2-yl-3-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]urea
PubChem CID110748474
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name1-propan-2-yl-3-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]urea
SMILESCC(C)NC(=O)NCCc1csc2nncn12
InChIInChI=1S/C10H15N5OS/c1-7(2)13-9(16)11-4-3-8-5-17-10-14-12-6-15(8)10/h5-7H,3-4H2,1-2H3,(H2,11,13,16)
InChIKeyJFMXWSVAKGQRKI-UHFFFAOYSA-N
XLogP1.04
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide
CID 110726992
3-(4-methoxyphenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]propanamide
CID 110727031
2-(4-chlorophenoxy)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]acetamide
CID 110727010
2-chloro-6-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide
CID 110727017
N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]butane-1-sulfonamide
CID 110727061
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea
CID 110747799
1-(4-fluorophenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]methanesulfonamide
CID 110727083
(2S)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 55202295
1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 110747749
1-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-propan-2-ylurea
CID 110747788
1-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]-3-propan-2-ylurea
CID 91172428

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]urea?
The IUPAC name of 1-propan-2-yl-3-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]urea (CID 110748474) is 1-propan-2-yl-3-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]urea?
The canonical SMILES for 1-propan-2-yl-3-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]urea is CC(C)NC(=O)NCCc1csc2nncn12.
What is the InChIKey of 1-propan-2-yl-3-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]urea?
The InChIKey is JFMXWSVAKGQRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-7(2)13-9(16)11-4-3-8-5-17-10-14-12-6-15(8)10/h5-7H,3-4H2,1-2H3,(H2,11,13,16).
What are the key properties of 1-propan-2-yl-3-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]urea?
1-propan-2-yl-3-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]urea has a molecular weight of 253.33 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]urea is sourced from PubChem (CID 110748474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).