1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylurea

C10H12N4OS2 — CID 126664102

IUPAC1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylurea
SMILESCNC(=O)Nc1nc(-c2sc(C)nc2C)cs1
InChIInChI=1S/C10H12N4OS2/c1-5-8(17-6(2)12-5)7-4-16-10(13-7)14-9(15)11-3/h4H,1-3H3,(H2,11,13,14,15)
InChIKeyUOQIPWKLWHKTCV-UHFFFAOYSA-N
MW268.37 g/mol
LogP2.63
Rot. Bonds2

About 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylurea

1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylurea (PubChem CID 126664102) has the molecular formula C10H12N4OS2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylurea.

Molecular Properties

Compound Name1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylurea
PubChem CID126664102
Molecular FormulaC10H12N4OS2
Molecular Weight268.37 g/mol
Exact Mass268.05
IUPAC Name1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylurea
SMILESCNC(=O)Nc1nc(-c2sc(C)nc2C)cs1
InChIInChI=1S/C10H12N4OS2/c1-5-8(17-6(2)12-5)7-4-16-10(13-7)14-9(15)11-3/h4H,1-3H3,(H2,11,13,14,15)
InChIKeyUOQIPWKLWHKTCV-UHFFFAOYSA-N
XLogP2.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dibromo-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 166377921
[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]hydrazine
CID 7174025
N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]formamide
CID 126664103
N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119735206
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 58584175
N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 3794059
3-amino-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 119735188
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 2877560
3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 71478317
N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(4-propylsulfonylphenyl)acetamide
CID 163515050
1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]ethanone
CID 144814251
4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-methylbenzoic acid
CID 126619412

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylurea?
The IUPAC name of 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylurea (CID 126664102) is 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylurea.
What is the SMILES notation for 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylurea?
The canonical SMILES for 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylurea is CNC(=O)Nc1nc(-c2sc(C)nc2C)cs1.
What is the InChIKey of 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylurea?
The InChIKey is UOQIPWKLWHKTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS2/c1-5-8(17-6(2)12-5)7-4-16-10(13-7)14-9(15)11-3/h4H,1-3H3,(H2,11,13,14,15).
What are the key properties of 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylurea?
1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylurea has a molecular weight of 268.37 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylurea is sourced from PubChem (CID 126664102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).