4-(4,5-dimethyl-1,3-thiazol-2-yl)-N,N-bis(2-methoxyethyl)-5-thiophen-3-ylpyrimidin-2-amine

C19H24N4O2S2 — CID 44522307

IUPAC4-(4,5-dimethyl-1,3-thiazol-2-yl)-N,N-bis(2-methoxyethyl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESCOCCN(CCOC)c1ncc(-c2ccsc2)c(-c2nc(C)c(C)s2)n1
InChIInChI=1S/C19H24N4O2S2/c1-13-14(2)27-18(21-13)17-16(15-5-10-26-12-15)11-20-19(22-17)23(6-8-24-3)7-9-25-4/h5,10-12H,6-9H2,1-4H3
InChIKeyONOMBVPFNWBDKN-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.04
Rot. Bonds9

About 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N,N-bis(2-methoxyethyl)-5-thiophen-3-ylpyrimidin-2-amine

4-(4,5-dimethyl-1,3-thiazol-2-yl)-N,N-bis(2-methoxyethyl)-5-thiophen-3-ylpyrimidin-2-amine (PubChem CID 44522307) has the molecular formula C19H24N4O2S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N,N-bis(2-methoxyethyl)-5-thiophen-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-N,N-bis(2-methoxyethyl)-5-thiophen-3-ylpyrimidin-2-amine
PubChem CID44522307
Molecular FormulaC19H24N4O2S2
Molecular Weight404.56 g/mol
Exact Mass404.13
IUPAC Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-N,N-bis(2-methoxyethyl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESCOCCN(CCOC)c1ncc(-c2ccsc2)c(-c2nc(C)c(C)s2)n1
InChIInChI=1S/C19H24N4O2S2/c1-13-14(2)27-18(21-13)17-16(15-5-10-26-12-15)11-20-19(22-17)23(6-8-24-3)7-9-25-4/h5,10-12H,6-9H2,1-4H3
InChIKeyONOMBVPFNWBDKN-UHFFFAOYSA-N
XLogP4.04
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N,N-bis(2-methoxyethyl)-5-thiophen-3-ylpyrimidin-2-amine?
The IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N,N-bis(2-methoxyethyl)-5-thiophen-3-ylpyrimidin-2-amine (CID 44522307) is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N,N-bis(2-methoxyethyl)-5-thiophen-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N,N-bis(2-methoxyethyl)-5-thiophen-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N,N-bis(2-methoxyethyl)-5-thiophen-3-ylpyrimidin-2-amine is COCCN(CCOC)c1ncc(-c2ccsc2)c(-c2nc(C)c(C)s2)n1.
What is the InChIKey of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N,N-bis(2-methoxyethyl)-5-thiophen-3-ylpyrimidin-2-amine?
The InChIKey is ONOMBVPFNWBDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S2/c1-13-14(2)27-18(21-13)17-16(15-5-10-26-12-15)11-20-19(22-17)23(6-8-24-3)7-9-25-4/h5,10-12H,6-9H2,1-4H3.
What are the key properties of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N,N-bis(2-methoxyethyl)-5-thiophen-3-ylpyrimidin-2-amine?
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N,N-bis(2-methoxyethyl)-5-thiophen-3-ylpyrimidin-2-amine has a molecular weight of 404.56 g/mol, XLogP of 4.04, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N,N-bis(2-methoxyethyl)-5-thiophen-3-ylpyrimidin-2-amine is sourced from PubChem (CID 44522307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).