N-(oxolan-2-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine

C16H16N4OS2 — CID 44522318

IUPACN-(oxolan-2-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESc1csc(-c2nc(NCC3CCCO3)ncc2-c2ccsc2)n1
InChIInChI=1S/C16H16N4OS2/c1-2-12(21-5-1)8-18-16-19-9-13(11-3-6-22-10-11)14(20-16)15-17-4-7-23-15/h3-4,6-7,9-10,12H,1-2,5,8H2,(H,18,19,20)
InChIKeyKCEVWBKDDPSHNK-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.92
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine

N-(oxolan-2-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine (PubChem CID 44522318) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
PubChem CID44522318
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC NameN-(oxolan-2-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESc1csc(-c2nc(NCC3CCCO3)ncc2-c2ccsc2)n1
InChIInChI=1S/C16H16N4OS2/c1-2-12(21-5-1)8-18-16-19-9-13(11-3-6-22-10-11)14(20-16)15-17-4-7-23-15/h3-4,6-7,9-10,12H,1-2,5,8H2,(H,18,19,20)
InChIKeyKCEVWBKDDPSHNK-UHFFFAOYSA-N
XLogP3.92
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine (CID 44522318) is N-(oxolan-2-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine is c1csc(-c2nc(NCC3CCCO3)ncc2-c2ccsc2)n1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
The InChIKey is KCEVWBKDDPSHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-2-12(21-5-1)8-18-16-19-9-13(11-3-6-22-10-11)14(20-16)15-17-4-7-23-15/h3-4,6-7,9-10,12H,1-2,5,8H2,(H,18,19,20).
What are the key properties of N-(oxolan-2-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
N-(oxolan-2-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine has a molecular weight of 344.47 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine is sourced from PubChem (CID 44522318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).