3-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol

C16H17N5OS — CID 6539290

IUPAC3-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol
SMILESCCNc1nc(C)c(-c2ccnc(Nc3cccc(O)c3)n2)s1
InChIInChI=1S/C16H17N5OS/c1-3-17-16-19-10(2)14(23-16)13-7-8-18-15(21-13)20-11-5-4-6-12(22)9-11/h4-9,22H,3H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyHGMVCCYVQGIANG-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.79
Rot. Bonds5

About 3-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol

3-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol (PubChem CID 6539290) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol
PubChem CID6539290
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name3-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol
SMILESCCNc1nc(C)c(-c2ccnc(Nc3cccc(O)c3)n2)s1
InChIInChI=1S/C16H17N5OS/c1-3-17-16-19-10(2)14(23-16)13-7-8-18-15(21-13)20-11-5-4-6-12(22)9-11/h4-9,22H,3H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyHGMVCCYVQGIANG-UHFFFAOYSA-N
XLogP3.79
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol?
The IUPAC name of 3-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol (CID 6539290) is 3-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol.
What is the SMILES notation for 3-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol?
The canonical SMILES for 3-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol is CCNc1nc(C)c(-c2ccnc(Nc3cccc(O)c3)n2)s1.
What is the InChIKey of 3-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol?
The InChIKey is HGMVCCYVQGIANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-3-17-16-19-10(2)14(23-16)13-7-8-18-15(21-13)20-11-5-4-6-12(22)9-11/h4-9,22H,3H2,1-2H3,(H,17,19)(H,18,20,21).
What are the key properties of 3-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol?
3-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol has a molecular weight of 327.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol is sourced from PubChem (CID 6539290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).