1-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea

C17H24FN5OS — CID 55695584

IUPAC1-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea
SMILESCCCCc1nnc(NC(=O)NCC(c2cccc(F)c2)N(C)C)s1
InChIInChI=1S/C17H24FN5OS/c1-4-5-9-15-21-22-17(25-15)20-16(24)19-11-14(23(2)3)12-7-6-8-13(18)10-12/h6-8,10,14H,4-5,9,11H2,1-3H3,(H2,19,20,22,24)
InChIKeyBKAMXXSOAIIXCE-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.44
Rot. Bonds8

About 1-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea

1-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea (PubChem CID 55695584) has the molecular formula C17H24FN5OS and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea
PubChem CID55695584
Molecular FormulaC17H24FN5OS
Molecular Weight365.48 g/mol
Exact Mass365.17
IUPAC Name1-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea
SMILESCCCCc1nnc(NC(=O)NCC(c2cccc(F)c2)N(C)C)s1
InChIInChI=1S/C17H24FN5OS/c1-4-5-9-15-21-22-17(25-15)20-16(24)19-11-14(23(2)3)12-7-6-8-13(18)10-12/h6-8,10,14H,4-5,9,11H2,1-3H3,(H2,19,20,22,24)
InChIKeyBKAMXXSOAIIXCE-UHFFFAOYSA-N
XLogP3.44
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
CID 7747528
1-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-hydroxypentyl)urea
CID 111431681
butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide
CID 169248406
N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]phenyl]-2-methylpropanamide
CID 55699014
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 5040744
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 110890926
1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51083600
1-(4-hydroxy-2-methylbutyl)-3-(5-pentyl-1,3,4-thiadiazol-2-yl)urea
CID 111473294
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
1-[(6-methyl-2-pyridinyl)methyl]-3-(5-pentyl-1,3,4-thiadiazol-2-yl)urea
CID 87009129
1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
CID 60562797
1-(2-bromo-4,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea
CID 60569463

Frequently Asked Questions

What is the IUPAC name of 1-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea?
The IUPAC name of 1-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea (CID 55695584) is 1-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea is CCCCc1nnc(NC(=O)NCC(c2cccc(F)c2)N(C)C)s1.
What is the InChIKey of 1-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea?
The InChIKey is BKAMXXSOAIIXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5OS/c1-4-5-9-15-21-22-17(25-15)20-16(24)19-11-14(23(2)3)12-7-6-8-13(18)10-12/h6-8,10,14H,4-5,9,11H2,1-3H3,(H2,19,20,22,24).
What are the key properties of 1-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea?
1-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea has a molecular weight of 365.48 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea is sourced from PubChem (CID 55695584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).