[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,4-difluorophenyl)methanone

C16H17F2N3OS — CID 145140411

IUPAC[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,4-difluorophenyl)methanone
SMILESNc1nc(NC2CCCCC2)sc1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H17F2N3OS/c17-9-6-7-11(12(18)8-9)13(22)14-15(19)21-16(23-14)20-10-4-2-1-3-5-10/h6-8,10H,1-5,19H2,(H,20,21)
InChIKeyGURLLGNGGQTMDU-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.98
Rot. Bonds4

About [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,4-difluorophenyl)methanone

[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,4-difluorophenyl)methanone (PubChem CID 145140411) has the molecular formula C16H17F2N3OS and a molecular weight of 337.40 g/mol. Its IUPAC name is [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,4-difluorophenyl)methanone
PubChem CID145140411
Molecular FormulaC16H17F2N3OS
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,4-difluorophenyl)methanone
SMILESNc1nc(NC2CCCCC2)sc1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H17F2N3OS/c17-9-6-7-11(12(18)8-9)13(22)14-15(19)21-16(23-14)20-10-4-2-1-3-5-10/h6-8,10H,1-5,19H2,(H,20,21)
InChIKeyGURLLGNGGQTMDU-UHFFFAOYSA-N
XLogP3.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;3-aminosulfanyl-2,2-dimethylpropan-1-ol
CID 145140423
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
[4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
CID 11951616
4-amino-2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116671107
[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]piperidine-1-carbothioic S-acid
CID 87955684
4-amino-N-(4-chlorophenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 116668465
[4-amino-2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone
CID 58591964
N-[4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]cyclohexyl]-2-methylpropane-1-sulfonamide
CID 122480164
tert-butyl 4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
CID 11951440
4-amino-2-(cyclopropylamino)-N-(2-methylcycloheptyl)-1,3-thiazole-5-carboxamide
CID 116667333
N-cyclopentyl-6-fluoro-1,3-benzothiazol-2-amine;2,6-difluorobenzamide
CID 144829885

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,4-difluorophenyl)methanone?
The IUPAC name of [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,4-difluorophenyl)methanone (CID 145140411) is [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,4-difluorophenyl)methanone.
What is the SMILES notation for [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,4-difluorophenyl)methanone?
The canonical SMILES for [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,4-difluorophenyl)methanone is Nc1nc(NC2CCCCC2)sc1C(=O)c1ccc(F)cc1F.
What is the InChIKey of [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,4-difluorophenyl)methanone?
The InChIKey is GURLLGNGGQTMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3OS/c17-9-6-7-11(12(18)8-9)13(22)14-15(19)21-16(23-14)20-10-4-2-1-3-5-10/h6-8,10H,1-5,19H2,(H,20,21).
What are the key properties of [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,4-difluorophenyl)methanone?
[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,4-difluorophenyl)methanone has a molecular weight of 337.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 145140411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).