2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;propylurea

C11H18F3N5O3S — CID 142543292

IUPAC2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;propylurea
SMILESCCCNC(N)=O.NCC(=O)Nc1nc(C(F)(F)F)c(CO)s1
InChIInChI=1S/C7H8F3N3O2S.C4H10N2O/c8-7(9,10)5-3(2-14)16-6(13-5)12-4(15)1-11;1-2-3-6-4(5)7/h14H,1-2,11H2,(H,12,13,15);2-3H2,1H3,(H3,5,6,7)
InChIKeyUDDGJQWKRMINKW-UHFFFAOYSA-N
MW357.36 g/mol
LogP0.62
Rot. Bonds5

About 2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;propylurea

2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;propylurea (PubChem CID 142543292) has the molecular formula C11H18F3N5O3S and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;propylurea.

Molecular Properties

Compound Name2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;propylurea
PubChem CID142543292
Molecular FormulaC11H18F3N5O3S
Molecular Weight357.36 g/mol
Exact Mass357.11
IUPAC Name2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;propylurea
SMILESCCCNC(N)=O.NCC(=O)Nc1nc(C(F)(F)F)c(CO)s1
InChIInChI=1S/C7H8F3N3O2S.C4H10N2O/c8-7(9,10)5-3(2-14)16-6(13-5)12-4(15)1-11;1-2-3-6-4(5)7/h14H,1-2,11H2,(H,12,13,15);2-3H2,1H3,(H3,5,6,7)
InChIKeyUDDGJQWKRMINKW-UHFFFAOYSA-N
XLogP0.62
TPSA143.36 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 50.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;propylurea?
The IUPAC name of 2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;propylurea (CID 142543292) is 2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;propylurea.
What is the SMILES notation for 2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;propylurea?
The canonical SMILES for 2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;propylurea is CCCNC(N)=O.NCC(=O)Nc1nc(C(F)(F)F)c(CO)s1.
What is the InChIKey of 2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;propylurea?
The InChIKey is UDDGJQWKRMINKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2S.C4H10N2O/c8-7(9,10)5-3(2-14)16-6(13-5)12-4(15)1-11;1-2-3-6-4(5)7/h14H,1-2,11H2,(H,12,13,15);2-3H2,1H3,(H3,5,6,7).
What are the key properties of 2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;propylurea?
2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;propylurea has a molecular weight of 357.36 g/mol, XLogP of 0.62, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;propylurea is sourced from PubChem (CID 142543292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).