1-[2-(dimethylamino)ethyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea

C12H22N4OS — CID 75500154

IUPAC1-[2-(dimethylamino)ethyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
SMILESCC(C)Cc1cnc(NC(=O)NCCN(C)C)s1
InChIInChI=1S/C12H22N4OS/c1-9(2)7-10-8-14-12(18-10)15-11(17)13-5-6-16(3)4/h8-9H,5-7H2,1-4H3,(H2,13,14,15,17)
InChIKeyCNOAMQNDFYELES-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.02
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea

1-[2-(dimethylamino)ethyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea (PubChem CID 75500154) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
PubChem CID75500154
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
SMILESCC(C)Cc1cnc(NC(=O)NCCN(C)C)s1
InChIInChI=1S/C12H22N4OS/c1-9(2)7-10-8-14-12(18-10)15-11(17)13-5-6-16(3)4/h8-9H,5-7H2,1-4H3,(H2,13,14,15,17)
InChIKeyCNOAMQNDFYELES-UHFFFAOYSA-N
XLogP2.02
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea (CID 75500154) is 1-[2-(dimethylamino)ethyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea is CC(C)Cc1cnc(NC(=O)NCCN(C)C)s1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea?
The InChIKey is CNOAMQNDFYELES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-9(2)7-10-8-14-12(18-10)15-11(17)13-5-6-16(3)4/h8-9H,5-7H2,1-4H3,(H2,13,14,15,17).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea?
1-[2-(dimethylamino)ethyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea has a molecular weight of 270.40 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 75500154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).