(2Z)-2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5H-1,3-thiazin-6-ylidene]propan-1-ol

C14H18FN3OS — CID 58377103

IUPAC(2Z)-2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5H-1,3-thiazin-6-ylidene]propan-1-ol
SMILESC/C(CO)=C1\C[C@@](C)(c2cc(N)ccc2F)N=C(N)S1
InChIInChI=1S/C14H18FN3OS/c1-8(7-19)12-6-14(2,18-13(17)20-12)10-5-9(16)3-4-11(10)15/h3-5,19H,6-7,16H2,1-2H3,(H2,17,18)/b12-8-/t14-/m0/s1
InChIKeySHHUGBCKSBLJSS-UNJUUPHPSA-N
MW295.38 g/mol
LogP2.34
Rot. Bonds2

About (2Z)-2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5H-1,3-thiazin-6-ylidene]propan-1-ol

(2Z)-2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5H-1,3-thiazin-6-ylidene]propan-1-ol (PubChem CID 58377103) has the molecular formula C14H18FN3OS and a molecular weight of 295.38 g/mol. Its IUPAC name is (2Z)-2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5H-1,3-thiazin-6-ylidene]propan-1-ol.

Molecular Properties

Compound Name(2Z)-2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5H-1,3-thiazin-6-ylidene]propan-1-ol
PubChem CID58377103
Molecular FormulaC14H18FN3OS
Molecular Weight295.38 g/mol
Exact Mass295.12
IUPAC Name(2Z)-2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5H-1,3-thiazin-6-ylidene]propan-1-ol
SMILESC/C(CO)=C1\C[C@@](C)(c2cc(N)ccc2F)N=C(N)S1
InChIInChI=1S/C14H18FN3OS/c1-8(7-19)12-6-14(2,18-13(17)20-12)10-5-9(16)3-4-11(10)15/h3-5,19H,6-7,16H2,1-2H3,(H2,17,18)/b12-8-/t14-/m0/s1
InChIKeySHHUGBCKSBLJSS-UNJUUPHPSA-N
XLogP2.34
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5H-1,3-thiazin-6-ylidene]propan-1-ol?
The IUPAC name of (2Z)-2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5H-1,3-thiazin-6-ylidene]propan-1-ol (CID 58377103) is (2Z)-2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5H-1,3-thiazin-6-ylidene]propan-1-ol.
What is the SMILES notation for (2Z)-2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5H-1,3-thiazin-6-ylidene]propan-1-ol?
The canonical SMILES for (2Z)-2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5H-1,3-thiazin-6-ylidene]propan-1-ol is C/C(CO)=C1\C[C@@](C)(c2cc(N)ccc2F)N=C(N)S1.
What is the InChIKey of (2Z)-2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5H-1,3-thiazin-6-ylidene]propan-1-ol?
The InChIKey is SHHUGBCKSBLJSS-UNJUUPHPSA-N. The full InChI is InChI=1S/C14H18FN3OS/c1-8(7-19)12-6-14(2,18-13(17)20-12)10-5-9(16)3-4-11(10)15/h3-5,19H,6-7,16H2,1-2H3,(H2,17,18)/b12-8-/t14-/m0/s1.
What are the key properties of (2Z)-2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5H-1,3-thiazin-6-ylidene]propan-1-ol?
(2Z)-2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5H-1,3-thiazin-6-ylidene]propan-1-ol has a molecular weight of 295.38 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5H-1,3-thiazin-6-ylidene]propan-1-ol is sourced from PubChem (CID 58377103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).