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

C13H24N2OS — CID 114364603

IUPACN-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCCc1nc(COC)sc1CNC(C)(C)C
InChIInChI=1S/C13H24N2OS/c1-6-7-10-11(8-14-13(2,3)4)17-12(15-10)9-16-5/h14H,6-9H2,1-5H3
InChIKeyAPLRXNGUHZFDMK-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.13
Rot. Bonds6

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

N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 114364603) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID114364603
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCCc1nc(COC)sc1CNC(C)(C)C
InChIInChI=1S/C13H24N2OS/c1-6-7-10-11(8-14-13(2,3)4)17-12(15-10)9-16-5/h14H,6-9H2,1-5H3
InChIKeyAPLRXNGUHZFDMK-UHFFFAOYSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82432837
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 104841978
N-[[2-(2-methoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364619
5-[(tert-butylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 114364576
N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 113459711
N-[[2-(1-methoxyethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364548
N-[[4-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 102929001
N-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 114364609
N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114366837
2-methyl-N-[[2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364653
N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364575
N-[(2,4-dipropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82431543

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 114364603) is N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is CCCc1nc(COC)sc1CNC(C)(C)C.
What is the InChIKey of N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is APLRXNGUHZFDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-6-7-10-11(8-14-13(2,3)4)17-12(15-10)9-16-5/h14H,6-9H2,1-5H3.
What are the key properties of N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 256.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114364603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).