1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea

C11H13F2N5OS2 — CID 75505091

IUPAC1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1cnc(C(C)CNC(=O)Nc2nnc(C(F)F)s2)s1
InChIInChI=1S/C11H13F2N5OS2/c1-5(8-14-4-6(2)20-8)3-15-10(19)16-11-18-17-9(21-11)7(12)13/h4-5,7H,3H2,1-2H3,(H2,15,16,18,19)
InChIKeyUSMWGUOYCHQQMP-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.17
Rot. Bonds5

About 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea

1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 75505091) has the molecular formula C11H13F2N5OS2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
PubChem CID75505091
Molecular FormulaC11H13F2N5OS2
Molecular Weight333.39 g/mol
Exact Mass333.05
IUPAC Name1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1cnc(C(C)CNC(=O)Nc2nnc(C(F)F)s2)s1
InChIInChI=1S/C11H13F2N5OS2/c1-5(8-14-4-6(2)20-8)3-15-10(19)16-11-18-17-9(21-11)7(12)13/h4-5,7H,3H2,1-2H3,(H2,15,16,18,19)
InChIKeyUSMWGUOYCHQQMP-UHFFFAOYSA-N
XLogP3.17
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97305939
1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 124607917
1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97305979
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120642
1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(triazol-1-yl)phenyl]urea
CID 86790045
1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 84599979
1-(1H-indol-2-ylmethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75521331
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[(4-methylsulfanylphenyl)methyl]urea
CID 47753024
2-methyl-3-[methyl-[2-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]amino]propanoic acid
CID 122009883
(2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid
CID 107838128
1-[(4-cyano-2-fluorophenyl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 167947964
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea
CID 56823507

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea (CID 75505091) is 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea is Cc1cnc(C(C)CNC(=O)Nc2nnc(C(F)F)s2)s1.
What is the InChIKey of 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
The InChIKey is USMWGUOYCHQQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5OS2/c1-5(8-14-4-6(2)20-8)3-15-10(19)16-11-18-17-9(21-11)7(12)13/h4-5,7H,3H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 333.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 75505091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).