1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2-difluoroethyl)urea

C10H13F2N3OS — CID 122150552

IUPAC1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2-difluoroethyl)urea
SMILESO=C(NCC(F)F)Nc1nc(C2CCC2)cs1
InChIInChI=1S/C10H13F2N3OS/c11-8(12)4-13-9(16)15-10-14-7(5-17-10)6-2-1-3-6/h5-6,8H,1-4H2,(H2,13,14,15,16)
InChIKeyBZXWVXRZDAJMMY-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.80
Rot. Bonds4

About 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2-difluoroethyl)urea

1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2-difluoroethyl)urea (PubChem CID 122150552) has the molecular formula C10H13F2N3OS and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2-difluoroethyl)urea.

Molecular Properties

Compound Name1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2-difluoroethyl)urea
PubChem CID122150552
Molecular FormulaC10H13F2N3OS
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC Name1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2-difluoroethyl)urea
SMILESO=C(NCC(F)F)Nc1nc(C2CCC2)cs1
InChIInChI=1S/C10H13F2N3OS/c11-8(12)4-13-9(16)15-10-14-7(5-17-10)6-2-1-3-6/h5-6,8H,1-4H2,(H2,13,14,15,16)
InChIKeyBZXWVXRZDAJMMY-UHFFFAOYSA-N
XLogP2.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2S)-butan-2-yl]-1,3-thiazol-2-yl]-3-(3-methoxypropyl)urea
CID 97095818
1-(4-Cyclobutyl-1,3-thiazol-2-yl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea
CID 132385232
(3R,4S)-3-(aminomethyl)-N-(4-cyclobutyl-1,3-thiazol-2-yl)-3,4-dimethylpyrrolidine-1-carboxamide
CID 137998091
2-[2-(2,2,2-Trifluoroethyl)-guanidino]-4-(4-[3-(2,2,2-trifluoroethyl)thioureido]butyl)thiazole
CID 20240509
1-[3-[2-(Diaminomethylideneamino)-1,3-thiazol-4-yl]cyclohexyl]-3-(2,2,2-trifluoroethyl)urea
CID 20530389
2-[2-(2,2,2-Trifluoroethyl)-guanidino]-4-(4-aminobutyl)thiazole
CID 21298710
N-[4-[2-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]butyl]acetamide
CID 21298740
2-(2,2,2-trifluoroethyl)-1-[4-[4-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]butyl]-1,3-thiazol-2-yl]guanidine
CID 21298769
1-[4-(3-Aminopropyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 21298821
2-[2-(2,2,2-Trifluoroethyl)guanidino]-4-[4-(3-methylthioureido)butyl]thiazole
CID 21298851
2-[2-(2,2,2-Trifluoroethyl)guanidino]-4-(5-aminopentyl)thiazole
CID 21298861
1-[4-[3-(Dimethylamino)propyl]-1,3-thiazol-2-yl]-1-ethyl-3-propylurea
CID 10732857

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2-difluoroethyl)urea?
The IUPAC name of 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2-difluoroethyl)urea (CID 122150552) is 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2-difluoroethyl)urea.
What is the SMILES notation for 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2-difluoroethyl)urea?
The canonical SMILES for 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2-difluoroethyl)urea is O=C(NCC(F)F)Nc1nc(C2CCC2)cs1.
What is the InChIKey of 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2-difluoroethyl)urea?
The InChIKey is BZXWVXRZDAJMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3OS/c11-8(12)4-13-9(16)15-10-14-7(5-17-10)6-2-1-3-6/h5-6,8H,1-4H2,(H2,13,14,15,16).
What are the key properties of 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2-difluoroethyl)urea?
1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2-difluoroethyl)urea has a molecular weight of 261.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(2,2-difluoroethyl)urea is sourced from PubChem (CID 122150552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).