[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone

C16H17F2N3OS — CID 145140375

IUPAC[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone
SMILESNc1nc(NC2CCCCC2)sc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C16H17F2N3OS/c17-10-7-4-8-11(18)12(10)13(22)14-15(19)21-16(23-14)20-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6,19H2,(H,20,21)
InChIKeySHIDDOPFOQRESV-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.98
Rot. Bonds4

About [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone

[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone (PubChem CID 145140375) 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]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone
PubChem CID145140375
Molecular FormulaC16H17F2N3OS
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone
SMILESNc1nc(NC2CCCCC2)sc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C16H17F2N3OS/c17-10-7-4-8-11(18)12(10)13(22)14-15(19)21-16(23-14)20-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6,19H2,(H,20,21)
InChIKeySHIDDOPFOQRESV-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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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone (CID 145140375) is [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone is Nc1nc(NC2CCCCC2)sc1C(=O)c1c(F)cccc1F.
What is the InChIKey of [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone?
The InChIKey is SHIDDOPFOQRESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3OS/c17-10-7-4-8-11(18)12(10)13(22)14-15(19)21-16(23-14)20-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6,19H2,(H,20,21).
What are the key properties of [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone?
[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,6-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]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 145140375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).