N-[4-(cyclohexylmethoxy)-3-[difluoro(phosphanyl)methyl]phenyl]-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-2-amine

C28H29F2N2O2PS — CID 143328910

IUPACN-[4-(cyclohexylmethoxy)-3-[difluoro(phosphanyl)methyl]phenyl]-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc2cc(-c3csc(Nc4ccc(OCC5CCCCC5)c(C(F)(F)P)c4)n3)ccc2c1
InChIInChI=1S/C28H29F2N2O2PS/c1-33-23-11-9-19-13-21(8-7-20(19)14-23)25-17-36-27(32-25)31-22-10-12-26(24(15-22)28(29,30)35)34-16-18-5-3-2-4-6-18/h7-15,17-18H,2-6,16,35H2,1H3,(H,31,32)
InChIKeyVXRYQPPKSLZNGA-UHFFFAOYSA-N
MW526.59 g/mol
LogP8.60
Rot. Bonds8

About N-[4-(cyclohexylmethoxy)-3-[difluoro(phosphanyl)methyl]phenyl]-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-2-amine

N-[4-(cyclohexylmethoxy)-3-[difluoro(phosphanyl)methyl]phenyl]-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-2-amine (PubChem CID 143328910) has the molecular formula C28H29F2N2O2PS and a molecular weight of 526.59 g/mol. Its IUPAC name is N-[4-(cyclohexylmethoxy)-3-[difluoro(phosphanyl)methyl]phenyl]-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(cyclohexylmethoxy)-3-[difluoro(phosphanyl)methyl]phenyl]-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-2-amine
PubChem CID143328910
Molecular FormulaC28H29F2N2O2PS
Molecular Weight526.59 g/mol
Exact Mass526.17
IUPAC NameN-[4-(cyclohexylmethoxy)-3-[difluoro(phosphanyl)methyl]phenyl]-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc2cc(-c3csc(Nc4ccc(OCC5CCCCC5)c(C(F)(F)P)c4)n3)ccc2c1
InChIInChI=1S/C28H29F2N2O2PS/c1-33-23-11-9-19-13-21(8-7-20(19)14-23)25-17-36-27(32-25)31-22-10-12-26(24(15-22)28(29,30)35)34-16-18-5-3-2-4-6-18/h7-15,17-18H,2-6,16,35H2,1H3,(H,31,32)
InChIKeyVXRYQPPKSLZNGA-UHFFFAOYSA-N
XLogP8.60
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.59
LogP ≤ 58.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58791312
5-[2-[4-(cyclohexylmethoxy)-3-methylanilino]-1,3-thiazol-4-yl]pyridine-2-carbonitrile
CID 143328731
N-[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791691
5-[2-[4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-3H-2-benzofuran-1-one
CID 58791959
4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2877323
3-cyclopentyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 3887660
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4093037
4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 5062671
ethane;4-[2-[4-octoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzene-1,2-diol
CID 143328650
4-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-amine
CID 124927933
2,6-ditert-butyl-4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenol
CID 139972664
4-(6-fluoro-3-pyridinyl)-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58791211

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylmethoxy)-3-[difluoro(phosphanyl)methyl]phenyl]-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(cyclohexylmethoxy)-3-[difluoro(phosphanyl)methyl]phenyl]-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-2-amine (CID 143328910) is N-[4-(cyclohexylmethoxy)-3-[difluoro(phosphanyl)methyl]phenyl]-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(cyclohexylmethoxy)-3-[difluoro(phosphanyl)methyl]phenyl]-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(cyclohexylmethoxy)-3-[difluoro(phosphanyl)methyl]phenyl]-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-2-amine is COc1ccc2cc(-c3csc(Nc4ccc(OCC5CCCCC5)c(C(F)(F)P)c4)n3)ccc2c1.
What is the InChIKey of N-[4-(cyclohexylmethoxy)-3-[difluoro(phosphanyl)methyl]phenyl]-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-2-amine?
The InChIKey is VXRYQPPKSLZNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N2O2PS/c1-33-23-11-9-19-13-21(8-7-20(19)14-23)25-17-36-27(32-25)31-22-10-12-26(24(15-22)28(29,30)35)34-16-18-5-3-2-4-6-18/h7-15,17-18H,2-6,16,35H2,1H3,(H,31,32).
What are the key properties of N-[4-(cyclohexylmethoxy)-3-[difluoro(phosphanyl)methyl]phenyl]-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-2-amine?
N-[4-(cyclohexylmethoxy)-3-[difluoro(phosphanyl)methyl]phenyl]-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-2-amine has a molecular weight of 526.59 g/mol, XLogP of 8.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylmethoxy)-3-[difluoro(phosphanyl)methyl]phenyl]-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 143328910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).