1-[4-[3-(dimethylamino)propyl]-1,3-thiazol-2-yl]-1-ethyl-3-propylurea

C14H26N4OS — CID 10732857

IUPAC1-[4-[3-(dimethylamino)propyl]-1,3-thiazol-2-yl]-1-ethyl-3-propylurea
SMILESCCCNC(=O)N(CC)c1nc(CCCN(C)C)cs1
InChIInChI=1S/C14H26N4OS/c1-5-9-15-13(19)18(6-2)14-16-12(11-20-14)8-7-10-17(3)4/h11H,5-10H2,1-4H3,(H,15,19)
InChIKeyOJDYSUSHEYEGGG-UHFFFAOYSA-N
MW298.46 g/mol
LogP2.58
Rot. Bonds8

About 1-[4-[3-(dimethylamino)propyl]-1,3-thiazol-2-yl]-1-ethyl-3-propylurea

1-[4-[3-(dimethylamino)propyl]-1,3-thiazol-2-yl]-1-ethyl-3-propylurea (PubChem CID 10732857) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 1-[4-[3-(dimethylamino)propyl]-1,3-thiazol-2-yl]-1-ethyl-3-propylurea.

Molecular Properties

Compound Name1-[4-[3-(dimethylamino)propyl]-1,3-thiazol-2-yl]-1-ethyl-3-propylurea
PubChem CID10732857
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name1-[4-[3-(dimethylamino)propyl]-1,3-thiazol-2-yl]-1-ethyl-3-propylurea
SMILESCCCNC(=O)N(CC)c1nc(CCCN(C)C)cs1
InChIInChI=1S/C14H26N4OS/c1-5-9-15-13(19)18(6-2)14-16-12(11-20-14)8-7-10-17(3)4/h11H,5-10H2,1-4H3,(H,15,19)
InChIKeyOJDYSUSHEYEGGG-UHFFFAOYSA-N
XLogP2.58
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(dimethylamino)propyl]-1,3-thiazol-2-yl]-1-ethyl-3-propylurea?
The IUPAC name of 1-[4-[3-(dimethylamino)propyl]-1,3-thiazol-2-yl]-1-ethyl-3-propylurea (CID 10732857) is 1-[4-[3-(dimethylamino)propyl]-1,3-thiazol-2-yl]-1-ethyl-3-propylurea.
What is the SMILES notation for 1-[4-[3-(dimethylamino)propyl]-1,3-thiazol-2-yl]-1-ethyl-3-propylurea?
The canonical SMILES for 1-[4-[3-(dimethylamino)propyl]-1,3-thiazol-2-yl]-1-ethyl-3-propylurea is CCCNC(=O)N(CC)c1nc(CCCN(C)C)cs1.
What is the InChIKey of 1-[4-[3-(dimethylamino)propyl]-1,3-thiazol-2-yl]-1-ethyl-3-propylurea?
The InChIKey is OJDYSUSHEYEGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-5-9-15-13(19)18(6-2)14-16-12(11-20-14)8-7-10-17(3)4/h11H,5-10H2,1-4H3,(H,15,19).
What are the key properties of 1-[4-[3-(dimethylamino)propyl]-1,3-thiazol-2-yl]-1-ethyl-3-propylurea?
1-[4-[3-(dimethylamino)propyl]-1,3-thiazol-2-yl]-1-ethyl-3-propylurea has a molecular weight of 298.46 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(dimethylamino)propyl]-1,3-thiazol-2-yl]-1-ethyl-3-propylurea is sourced from PubChem (CID 10732857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).