chloro-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol

C9H8Cl2N4OS — CID 123792096

IUPACchloro-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol
SMILESCc1nc(Cl)cc(Nc2ncc(C(O)Cl)s2)n1
InChIInChI=1S/C9H8Cl2N4OS/c1-4-13-6(10)2-7(14-4)15-9-12-3-5(17-9)8(11)16/h2-3,8,16H,1H3,(H,12,13,14,15)
InChIKeyQIZMGNPZJQEMTL-UHFFFAOYSA-N
MW291.16 g/mol
LogP2.87
Rot. Bonds3

About chloro-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol

chloro-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 123792096) has the molecular formula C9H8Cl2N4OS and a molecular weight of 291.16 g/mol. Its IUPAC name is chloro-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Namechloro-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID123792096
Molecular FormulaC9H8Cl2N4OS
Molecular Weight291.16 g/mol
Exact Mass289.98
IUPAC Namechloro-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol
SMILESCc1nc(Cl)cc(Nc2ncc(C(O)Cl)s2)n1
InChIInChI=1S/C9H8Cl2N4OS/c1-4-13-6(10)2-7(14-4)15-9-12-3-5(17-9)8(11)16/h2-3,8,16H,1H3,(H,12,13,14,15)
InChIKeyQIZMGNPZJQEMTL-UHFFFAOYSA-N
XLogP2.87
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of chloro-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol (CID 123792096) is chloro-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for chloro-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for chloro-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol is Cc1nc(Cl)cc(Nc2ncc(C(O)Cl)s2)n1.
What is the InChIKey of chloro-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is QIZMGNPZJQEMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4OS/c1-4-13-6(10)2-7(14-4)15-9-12-3-5(17-9)8(11)16/h2-3,8,16H,1H3,(H,12,13,14,15).
What are the key properties of chloro-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol?
chloro-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 291.16 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 123792096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).