lithium;1-ethyl-3-(4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl)urea;hydride

C15H14FLiN4OS — CID 173051667

IUPAClithium;1-ethyl-3-(4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl)urea;hydride
SMILESCCNC(=O)Nc1nc2c(F)ccc(-c3ccccn3)c2s1.[H-].[Li+]
InChIInChI=1S/C15H13FN4OS.Li.H/c1-2-17-14(21)20-15-19-12-10(16)7-6-9(13(12)22-15)11-5-3-4-8-18-11;;/h3-8H,2H2,1H3,(H2,17,19,20,21);;/q;+1;-1
InChIKeyUKSFICKYPRUWHZ-UHFFFAOYSA-N
MW324.31 g/mol
LogP0.76
Rot. Bonds3

About lithium;1-ethyl-3-(4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl)urea;hydride

lithium;1-ethyl-3-(4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl)urea;hydride (PubChem CID 173051667) has the molecular formula C15H14FLiN4OS and a molecular weight of 324.31 g/mol. Its IUPAC name is lithium;1-ethyl-3-(4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl)urea;hydride.

Molecular Properties

Compound Namelithium;1-ethyl-3-(4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl)urea;hydride
PubChem CID173051667
Molecular FormulaC15H14FLiN4OS
Molecular Weight324.31 g/mol
Exact Mass324.10
IUPAC Namelithium;1-ethyl-3-(4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl)urea;hydride
SMILESCCNC(=O)Nc1nc2c(F)ccc(-c3ccccn3)c2s1.[H-].[Li+]
InChIInChI=1S/C15H13FN4OS.Li.H/c1-2-17-14(21)20-15-19-12-10(16)7-6-9(13(12)22-15)11-5-3-4-8-18-11;;/h3-8H,2H2,1H3,(H2,17,19,20,21);;/q;+1;-1
InChIKeyUKSFICKYPRUWHZ-UHFFFAOYSA-N
XLogP0.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

1-(5-bromo-4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl)-3-ethylurea
CID 86654970
CID 87301041
CID 87301041
2-[4-[2-(ethylcarbamoylamino)-4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-5-yl]phenyl]propanoic acid
CID 87300631
1-(5-butoxy-7-pyridin-2-yl-1,3-benzothiazol-2-yl)-3-ethylurea
CID 87276227
2-[[5-[2-(ethylcarbamoylamino)-4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-5-yl]pyrimidin-2-yl]amino]butanedioic acid
CID 87300685
1-ethyl-3-[4-fluoro-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea
CID 44600222
1-ethyl-3-[5-[2-(methanesulfonamido)pyrimidin-5-yl]-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea
CID 118280483
1-ethyl-3-[5-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea
CID 71765644
N'-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-1,3-benzothiazole-5-carbothioyl]carbamimidoyl chloride
CID 123377085
1-ethyl-3-[5-[(2E,4Z)-6-methylideneocta-2,4-dien-3-yl]-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea
CID 144895438
S-methyl N-(5-bromo-4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl)carbamothioate
CID 87349771
1-[5-[5-[2-(dimethylamino)ethylimino]cyclohepta-1,3,6-trien-1-yl]-7-pyridin-2-yl-1,3-benzothiazol-2-yl]-3-ethylurea
CID 123534708

Frequently Asked Questions

What is the IUPAC name of lithium;1-ethyl-3-(4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl)urea;hydride?
The IUPAC name of lithium;1-ethyl-3-(4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl)urea;hydride (CID 173051667) is lithium;1-ethyl-3-(4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl)urea;hydride.
What is the SMILES notation for lithium;1-ethyl-3-(4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl)urea;hydride?
The canonical SMILES for lithium;1-ethyl-3-(4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl)urea;hydride is CCNC(=O)Nc1nc2c(F)ccc(-c3ccccn3)c2s1.[H-].[Li+].
What is the InChIKey of lithium;1-ethyl-3-(4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl)urea;hydride?
The InChIKey is UKSFICKYPRUWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4OS.Li.H/c1-2-17-14(21)20-15-19-12-10(16)7-6-9(13(12)22-15)11-5-3-4-8-18-11;;/h3-8H,2H2,1H3,(H2,17,19,20,21);;/q;+1;-1.
What are the key properties of lithium;1-ethyl-3-(4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl)urea;hydride?
lithium;1-ethyl-3-(4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl)urea;hydride has a molecular weight of 324.31 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-ethyl-3-(4-fluoro-7-pyridin-2-yl-1,3-benzothiazol-2-yl)urea;hydride is sourced from PubChem (CID 173051667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).