1-[2-(dimethylamino)ethyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylurea

C12H22N4OS — CID 12791202

IUPAC1-[2-(dimethylamino)ethyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylurea
SMILESCc1nc(N(CCN(C)C)C(=O)N(C)C)sc1C
InChIInChI=1S/C12H22N4OS/c1-9-10(2)18-11(13-9)16(8-7-14(3)4)12(17)15(5)6/h7-8H2,1-6H3
InChIKeyNVGMILGTNZVLQE-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.81
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylurea

1-[2-(dimethylamino)ethyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylurea (PubChem CID 12791202) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylurea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylurea
PubChem CID12791202
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name1-[2-(dimethylamino)ethyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylurea
SMILESCc1nc(N(CCN(C)C)C(=O)N(C)C)sc1C
InChIInChI=1S/C12H22N4OS/c1-9-10(2)18-11(13-9)16(8-7-14(3)4)12(17)15(5)6/h7-8H2,1-6H3
InChIKeyNVGMILGTNZVLQE-UHFFFAOYSA-N
XLogP1.81
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylurea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylurea (CID 12791202) is 1-[2-(dimethylamino)ethyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylurea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylurea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylurea is Cc1nc(N(CCN(C)C)C(=O)N(C)C)sc1C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylurea?
The InChIKey is NVGMILGTNZVLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-9-10(2)18-11(13-9)16(8-7-14(3)4)12(17)15(5)6/h7-8H2,1-6H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylurea?
1-[2-(dimethylamino)ethyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylurea has a molecular weight of 270.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylurea is sourced from PubChem (CID 12791202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).