N-[[4-(methoxymethyl)-2-(5-methylpyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C14H20N4OS — CID 114366562

IUPACN-[[4-(methoxymethyl)-2-(5-methylpyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOCc1nc(-c2ncc(C)cn2)sc1CNC(C)C
InChIInChI=1S/C14H20N4OS/c1-9(2)15-7-12-11(8-19-4)18-14(20-12)13-16-5-10(3)6-17-13/h5-6,9,15H,7-8H2,1-4H3
InChIKeyOVVFLCLYFWUUQD-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.55
Rot. Bonds6

About N-[[4-(methoxymethyl)-2-(5-methylpyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[4-(methoxymethyl)-2-(5-methylpyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114366562) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-2-(5-methylpyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-2-(5-methylpyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114366562
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-[[4-(methoxymethyl)-2-(5-methylpyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOCc1nc(-c2ncc(C)cn2)sc1CNC(C)C
InChIInChI=1S/C14H20N4OS/c1-9(2)15-7-12-11(8-19-4)18-14(20-12)13-16-5-10(3)6-17-13/h5-6,9,15H,7-8H2,1-4H3
InChIKeyOVVFLCLYFWUUQD-UHFFFAOYSA-N
XLogP2.55
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(methoxymethyl)-2-(5-methylpyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-(5-methylpyrimidin-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365464
N-[[2-(5-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366484
N-[[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366495
N-[[4-(methoxymethyl)-2-(2-methylfuran-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366596
N-[[2-(2-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366494
N-[[2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366514
N-[[2-(3-ethyl-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366521
N-[[2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366575
N-[[2-(4-bromo-2-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114907163
N-[[2-(2-bromo-5-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 107924114
N-[[4-(methoxymethyl)-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366475
1-[2-(3,5-dimethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114365944

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)-2-(5-methylpyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(methoxymethyl)-2-(5-methylpyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114366562) is N-[[4-(methoxymethyl)-2-(5-methylpyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(methoxymethyl)-2-(5-methylpyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(methoxymethyl)-2-(5-methylpyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is COCc1nc(-c2ncc(C)cn2)sc1CNC(C)C.
What is the InChIKey of N-[[4-(methoxymethyl)-2-(5-methylpyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is OVVFLCLYFWUUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-9(2)15-7-12-11(8-19-4)18-14(20-12)13-16-5-10(3)6-17-13/h5-6,9,15H,7-8H2,1-4H3.
What are the key properties of N-[[4-(methoxymethyl)-2-(5-methylpyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-(methoxymethyl)-2-(5-methylpyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 292.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-2-(5-methylpyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114366562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).