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

C14H20N4OS — CID 114366844

IUPACN-[[4-(methoxymethyl)-2-pyrimidin-4-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCOCc1nc(-c2ccncn2)sc1CNC(C)(C)C
InChIInChI=1S/C14H20N4OS/c1-14(2,3)17-7-12-11(8-19-4)18-13(20-12)10-5-6-15-9-16-10/h5-6,9,17H,7-8H2,1-4H3
InChIKeyNHKZAVSBYLLOMG-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.63
Rot. Bonds5

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

N-[[4-(methoxymethyl)-2-pyrimidin-4-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 114366844) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-2-pyrimidin-4-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-2-pyrimidin-4-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID114366844
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-[[4-(methoxymethyl)-2-pyrimidin-4-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCOCc1nc(-c2ccncn2)sc1CNC(C)(C)C
InChIInChI=1S/C14H20N4OS/c1-14(2,3)17-7-12-11(8-19-4)18-13(20-12)10-5-6-15-9-16-10/h5-6,9,17H,7-8H2,1-4H3
InChIKeyNHKZAVSBYLLOMG-UHFFFAOYSA-N
XLogP2.63
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114366796
N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114366837
N-[[2-(5-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366484
N-[[4-(methoxymethyl)-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366269
2-methyl-N-[[4-(2-methylpropyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369660
N-[[4-(methoxymethyl)-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114366425
N-[[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82441971
2-methyl-N-[[2-(4-methyl-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364678
N-[[4-ethyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 113459709
5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 107509753
2-methyl-N-[[2-(3-methyl-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364680
N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364603

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)-2-pyrimidin-4-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(methoxymethyl)-2-pyrimidin-4-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 114366844) is N-[[4-(methoxymethyl)-2-pyrimidin-4-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(methoxymethyl)-2-pyrimidin-4-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(methoxymethyl)-2-pyrimidin-4-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is COCc1nc(-c2ccncn2)sc1CNC(C)(C)C.
What is the InChIKey of N-[[4-(methoxymethyl)-2-pyrimidin-4-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is NHKZAVSBYLLOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-14(2,3)17-7-12-11(8-19-4)18-13(20-12)10-5-6-15-9-16-10/h5-6,9,17H,7-8H2,1-4H3.
What are the key properties of N-[[4-(methoxymethyl)-2-pyrimidin-4-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[4-(methoxymethyl)-2-pyrimidin-4-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 292.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-2-pyrimidin-4-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114366844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).