1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea

C9H12F3N3OS — CID 47223685

IUPAC1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1nc(CCNC(=O)NCC(F)(F)F)cs1
InChIInChI=1S/C9H12F3N3OS/c1-6-15-7(4-17-6)2-3-13-8(16)14-5-9(10,11)12/h4H,2-3,5H2,1H3,(H2,13,14,16)
InChIKeyVWRAADYCVWBNJP-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.86
Rot. Bonds4

About 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea

1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 47223685) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID47223685
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1nc(CCNC(=O)NCC(F)(F)F)cs1
InChIInChI=1S/C9H12F3N3OS/c1-6-15-7(4-17-6)2-3-13-8(16)14-5-9(10,11)12/h4H,2-3,5H2,1H3,(H2,13,14,16)
InChIKeyVWRAADYCVWBNJP-UHFFFAOYSA-N
XLogP1.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-Ethyl-1,3-thiazol-4-yl)ethyl]-3-(thian-4-yl)urea
CID 53607372
3-Methyl-1-(2-(2-methyl-1,3-thiazol-4-yl)ethyl)thiourea
CID 103608992
N~1~-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)tetrahydro-1(2H)-pyridinecarboxamide
CID 53016848
1-Cyclopentyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 38206674
N-cyclopropyl-N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 47146401
1-Methoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 47223658
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]azepane-1-carboxamide
CID 71867571
1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94030417
3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]azetidine-1-carboxamide
CID 132293533
2,2,2-trifluoro-N-[2-(4-methyl-thiazol-2-yl)-ethyl]-acetamide
CID 39072071
2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78786025
2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 150435920

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea (CID 47223685) is 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea is Cc1nc(CCNC(=O)NCC(F)(F)F)cs1.
What is the InChIKey of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is VWRAADYCVWBNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c1-6-15-7(4-17-6)2-3-13-8(16)14-5-9(10,11)12/h4H,2-3,5H2,1H3,(H2,13,14,16).
What are the key properties of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 267.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 47223685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).