[4-amino-2-[[(E)-pent-2-en-2-yl]amino]-1,3-thiazol-5-yl]-(2-chloro-6-fluorophenyl)methanone

C15H15ClFN3OS — CID 142204142

IUPAC[4-amino-2-[[(E)-pent-2-en-2-yl]amino]-1,3-thiazol-5-yl]-(2-chloro-6-fluorophenyl)methanone
SMILESCC/C=C(\C)Nc1nc(N)c(C(=O)c2c(F)cccc2Cl)s1
InChIInChI=1S/C15H15ClFN3OS/c1-3-5-8(2)19-15-20-14(18)13(22-15)12(21)11-9(16)6-4-7-10(11)17/h4-7H,3,18H2,1-2H3,(H,19,20)/b8-5+
InChIKeyCREHAEMGOJKGTN-VMPITWQZSA-N
MW339.82 g/mol
LogP4.47
Rot. Bonds5

About [4-amino-2-[[(E)-pent-2-en-2-yl]amino]-1,3-thiazol-5-yl]-(2-chloro-6-fluorophenyl)methanone

[4-amino-2-[[(E)-pent-2-en-2-yl]amino]-1,3-thiazol-5-yl]-(2-chloro-6-fluorophenyl)methanone (PubChem CID 142204142) has the molecular formula C15H15ClFN3OS and a molecular weight of 339.82 g/mol. Its IUPAC name is [4-amino-2-[[(E)-pent-2-en-2-yl]amino]-1,3-thiazol-5-yl]-(2-chloro-6-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-[[(E)-pent-2-en-2-yl]amino]-1,3-thiazol-5-yl]-(2-chloro-6-fluorophenyl)methanone
PubChem CID142204142
Molecular FormulaC15H15ClFN3OS
Molecular Weight339.82 g/mol
Exact Mass339.06
IUPAC Name[4-amino-2-[[(E)-pent-2-en-2-yl]amino]-1,3-thiazol-5-yl]-(2-chloro-6-fluorophenyl)methanone
SMILESCC/C=C(\C)Nc1nc(N)c(C(=O)c2c(F)cccc2Cl)s1
InChIInChI=1S/C15H15ClFN3OS/c1-3-5-8(2)19-15-20-14(18)13(22-15)12(21)11-9(16)6-4-7-10(11)17/h4-7H,3,18H2,1-2H3,(H,19,20)/b8-5+
InChIKeyCREHAEMGOJKGTN-VMPITWQZSA-N
XLogP4.47
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-amino-2-[[(E)-pent-2-en-2-yl]amino]-1,3-thiazol-5-yl]-(2-chloro-6-fluorophenyl)methanone;but-3-enoic acid;ethane
CID 142204141
[4-amino-2-[[(2E,4Z)-6-aminosulfanyl-1-methoxyhepta-2,4-dien-3-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone
CID 142932250
[4-amino-2-[(1-ethylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-ethenyl-6-fluorophenyl)methanone
CID 163786818
[4-amino-2-(3-but-1-enylsulfinylanilino)-1,3-thiazol-5-yl]-(2,6-dichlorophenyl)methanone
CID 91581990
[4-amino-2-[4-[(3Z,5Z)-4-methylocta-1,3,5-trien-2-yl]sulfanylanilino]-1,3-thiazol-5-yl]-(2,6-dichlorophenyl)methanone
CID 142932207
[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;(3-aminosulfanyl-2-methylpropyl) acetate
CID 145140463
4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 10001591
4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(2-ethylsulfanylethyl)benzenesulfonamide
CID 10006100
1-[4-[4-[[4-amino-5-(2,6-dichlorobenzoyl)-1,3-thiazol-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 18521914
4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbothioic S-acid
CID 87955684
N-[4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 122480002
(2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81156620

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[[(E)-pent-2-en-2-yl]amino]-1,3-thiazol-5-yl]-(2-chloro-6-fluorophenyl)methanone?
The IUPAC name of [4-amino-2-[[(E)-pent-2-en-2-yl]amino]-1,3-thiazol-5-yl]-(2-chloro-6-fluorophenyl)methanone (CID 142204142) is [4-amino-2-[[(E)-pent-2-en-2-yl]amino]-1,3-thiazol-5-yl]-(2-chloro-6-fluorophenyl)methanone.
What is the SMILES notation for [4-amino-2-[[(E)-pent-2-en-2-yl]amino]-1,3-thiazol-5-yl]-(2-chloro-6-fluorophenyl)methanone?
The canonical SMILES for [4-amino-2-[[(E)-pent-2-en-2-yl]amino]-1,3-thiazol-5-yl]-(2-chloro-6-fluorophenyl)methanone is CC/C=C(\C)Nc1nc(N)c(C(=O)c2c(F)cccc2Cl)s1.
What is the InChIKey of [4-amino-2-[[(E)-pent-2-en-2-yl]amino]-1,3-thiazol-5-yl]-(2-chloro-6-fluorophenyl)methanone?
The InChIKey is CREHAEMGOJKGTN-VMPITWQZSA-N. The full InChI is InChI=1S/C15H15ClFN3OS/c1-3-5-8(2)19-15-20-14(18)13(22-15)12(21)11-9(16)6-4-7-10(11)17/h4-7H,3,18H2,1-2H3,(H,19,20)/b8-5+.
What are the key properties of [4-amino-2-[[(E)-pent-2-en-2-yl]amino]-1,3-thiazol-5-yl]-(2-chloro-6-fluorophenyl)methanone?
[4-amino-2-[[(E)-pent-2-en-2-yl]amino]-1,3-thiazol-5-yl]-(2-chloro-6-fluorophenyl)methanone has a molecular weight of 339.82 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[[(E)-pent-2-en-2-yl]amino]-1,3-thiazol-5-yl]-(2-chloro-6-fluorophenyl)methanone is sourced from PubChem (CID 142204142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).