N-[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine

C21H27N3OS2Si — CID 88907044

IUPACN-[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2cc(Sc3cccc(CC(C)(C)[Si](C)(C)O)c3)ccn2)n1
InChIInChI=1S/C21H27N3OS2Si/c1-15-14-26-20(23-15)24-19-12-18(9-10-22-19)27-17-8-6-7-16(11-17)13-21(2,3)28(4,5)25/h6-12,14,25H,13H2,1-5H3,(H,22,23,24)
InChIKeyNMOBBDPOARNUPI-UHFFFAOYSA-N
MW429.69 g/mol
LogP6.26
Rot. Bonds7

About N-[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine

N-[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 88907044) has the molecular formula C21H27N3OS2Si and a molecular weight of 429.69 g/mol. Its IUPAC name is N-[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID88907044
Molecular FormulaC21H27N3OS2Si
Molecular Weight429.69 g/mol
Exact Mass429.14
IUPAC NameN-[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2cc(Sc3cccc(CC(C)(C)[Si](C)(C)O)c3)ccn2)n1
InChIInChI=1S/C21H27N3OS2Si/c1-15-14-26-20(23-15)24-19-12-18(9-10-22-19)27-17-8-6-7-16(11-17)13-21(2,3)28(4,5)25/h6-12,14,25H,13H2,1-5H3,(H,22,23,24)
InChIKeyNMOBBDPOARNUPI-UHFFFAOYSA-N
XLogP6.26
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.69
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine (CID 88907044) is N-[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine is Cc1csc(Nc2cc(Sc3cccc(CC(C)(C)[Si](C)(C)O)c3)ccn2)n1.
What is the InChIKey of N-[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is NMOBBDPOARNUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS2Si/c1-15-14-26-20(23-15)24-19-12-18(9-10-22-19)27-17-8-6-7-16(11-17)13-21(2,3)28(4,5)25/h6-12,14,25H,13H2,1-5H3,(H,22,23,24).
What are the key properties of N-[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
N-[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 429.69 g/mol, XLogP of 6.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 88907044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).