[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

C12H22N2OS — CID 114361462

IUPAC[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCCC(C)(OC)c1nc(C(C)C)c(CN)s1
InChIInChI=1S/C12H22N2OS/c1-6-12(4,15-5)11-14-10(8(2)3)9(7-13)16-11/h8H,6-7,13H2,1-5H3
InChIKeyBYYZRGJVNXYNTQ-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.00
Rot. Bonds5

About [2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (PubChem CID 114361462) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is [2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
PubChem CID114361462
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCCC(C)(OC)c1nc(C(C)C)c(CN)s1
InChIInChI=1S/C12H22N2OS/c1-6-12(4,15-5)11-14-10(8(2)3)9(7-13)16-11/h8H,6-7,13H2,1-5H3
InChIKeyBYYZRGJVNXYNTQ-UHFFFAOYSA-N
XLogP3.00
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365238
N-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116777926
N-[[4-ethyl-2-(2-methoxybutan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116778107
N-[[2-(2-methoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364619
[4-propan-2-yl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82434459
N-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116777911
5-(bromomethyl)-2-tert-butyl-4-propan-2-yl-1,3-thiazole
CID 82434635
2-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 82435380
5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79396248
N-[[2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364301
5-(aminomethyl)-N-cyclopropyl-4-propan-2-yl-N-propyl-1,3-thiazol-2-amine
CID 79395615
[2-(6-methoxypyridazin-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 103375118

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (CID 114361462) is [2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is CCC(C)(OC)c1nc(C(C)C)c(CN)s1.
What is the InChIKey of [2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The InChIKey is BYYZRGJVNXYNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-6-12(4,15-5)11-14-10(8(2)3)9(7-13)16-11/h8H,6-7,13H2,1-5H3.
What are the key properties of [2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine has a molecular weight of 242.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).