(4S)-4-[5-[(3-chloro-2-pyridinyl)amino]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

C16H16ClFN4S — CID 53235196

IUPAC(4S)-4-[5-[(3-chloro-2-pyridinyl)amino]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESC[C@@]1(c2cc(Nc3ncccc3Cl)ccc2F)CCSC(N)=N1
InChIInChI=1S/C16H16ClFN4S/c1-16(6-8-23-15(19)22-16)11-9-10(4-5-13(11)18)21-14-12(17)3-2-7-20-14/h2-5,7,9H,6,8H2,1H3,(H2,19,22)(H,20,21)/t16-/m0/s1
InChIKeyBIOUZBMWTGHMJN-INIZCTEOSA-N
MW350.85 g/mol
LogP4.28
Rot. Bonds3

About (4S)-4-[5-[(3-chloro-2-pyridinyl)amino]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

(4S)-4-[5-[(3-chloro-2-pyridinyl)amino]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 53235196) has the molecular formula C16H16ClFN4S and a molecular weight of 350.85 g/mol. Its IUPAC name is (4S)-4-[5-[(3-chloro-2-pyridinyl)amino]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4S)-4-[5-[(3-chloro-2-pyridinyl)amino]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID53235196
Molecular FormulaC16H16ClFN4S
Molecular Weight350.85 g/mol
Exact Mass350.08
IUPAC Name(4S)-4-[5-[(3-chloro-2-pyridinyl)amino]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESC[C@@]1(c2cc(Nc3ncccc3Cl)ccc2F)CCSC(N)=N1
InChIInChI=1S/C16H16ClFN4S/c1-16(6-8-23-15(19)22-16)11-9-10(4-5-13(11)18)21-14-12(17)3-2-7-20-14/h2-5,7,9H,6,8H2,1H3,(H2,19,22)(H,20,21)/t16-/m0/s1
InChIKeyBIOUZBMWTGHMJN-INIZCTEOSA-N
XLogP4.28
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[5-[(3-chloro-2-pyridinyl)amino]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of (4S)-4-[5-[(3-chloro-2-pyridinyl)amino]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (CID 53235196) is (4S)-4-[5-[(3-chloro-2-pyridinyl)amino]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for (4S)-4-[5-[(3-chloro-2-pyridinyl)amino]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for (4S)-4-[5-[(3-chloro-2-pyridinyl)amino]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is C[C@@]1(c2cc(Nc3ncccc3Cl)ccc2F)CCSC(N)=N1.
What is the InChIKey of (4S)-4-[5-[(3-chloro-2-pyridinyl)amino]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is BIOUZBMWTGHMJN-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16ClFN4S/c1-16(6-8-23-15(19)22-16)11-9-10(4-5-13(11)18)21-14-12(17)3-2-7-20-14/h2-5,7,9H,6,8H2,1H3,(H2,19,22)(H,20,21)/t16-/m0/s1.
What are the key properties of (4S)-4-[5-[(3-chloro-2-pyridinyl)amino]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
(4S)-4-[5-[(3-chloro-2-pyridinyl)amino]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 350.85 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[5-[(3-chloro-2-pyridinyl)amino]-2-fluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 53235196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).