1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea

C7H9F2N3OS — CID 124607917

IUPAC1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)NCC(F)F)s1
InChIInChI=1S/C7H9F2N3OS/c1-4-2-11-7(14-4)12-6(13)10-3-5(8)9/h2,5H,3H2,1H3,(H2,10,11,12,13)
InChIKeyDZYRAPAMRAILQT-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.84
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea

1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea (PubChem CID 124607917) has the molecular formula C7H9F2N3OS and a molecular weight of 221.23 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
PubChem CID124607917
Molecular FormulaC7H9F2N3OS
Molecular Weight221.23 g/mol
Exact Mass221.04
IUPAC Name1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)NCC(F)F)s1
InChIInChI=1S/C7H9F2N3OS/c1-4-2-11-7(14-4)12-6(13)10-3-5(8)9/h2,5H,3H2,1H3,(H2,10,11,12,13)
InChIKeyDZYRAPAMRAILQT-UHFFFAOYSA-N
XLogP1.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid
CID 107838128
1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 71931128
N-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetamide
CID 47196954
1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 59293942
1-ethoxy-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 127018306
ethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetate
CID 43384951
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 109379520
1-(1-hydroxypropan-2-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 47196994
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505091
2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]propanamide
CID 43146246
1-(2,2-difluoroethyl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea
CID 122131609
2-(aminomethyl)-2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 115431582

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea (CID 124607917) is 1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea is Cc1cnc(NC(=O)NCC(F)F)s1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is DZYRAPAMRAILQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3OS/c1-4-2-11-7(14-4)12-6(13)10-3-5(8)9/h2,5H,3H2,1H3,(H2,10,11,12,13).
What are the key properties of 1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 221.23 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 124607917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).