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

C16H30N2OS — CID 114369718

IUPACN-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCOC(C)Cc1nc(CC(C)C)c(CNC(C)(C)C)s1
InChIInChI=1S/C16H30N2OS/c1-11(2)8-13-14(10-17-16(4,5)6)20-15(18-13)9-12(3)19-7/h11-12,17H,8-10H2,1-7H3
InChIKeyCARGZSDKUBCPIY-UHFFFAOYSA-N
MW298.50 g/mol
LogP3.81
Rot. Bonds7

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

N-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 114369718) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is N-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID114369718
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC NameN-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCOC(C)Cc1nc(CC(C)C)c(CNC(C)(C)C)s1
InChIInChI=1S/C16H30N2OS/c1-11(2)8-13-14(10-17-16(4,5)6)20-15(18-13)9-12(3)19-7/h11-12,17H,8-10H2,1-7H3
InChIKeyCARGZSDKUBCPIY-UHFFFAOYSA-N
XLogP3.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114369727
N-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369417
N-[[2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114369734
2-methyl-N-[[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369789
N-[[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362625
2-methyl-N-[[4-(2-methylpropyl)-2-pyrimidin-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369705
2-methyl-N-[[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369670
[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methanamine
CID 114361034
2-methyl-N-[[4-(2-methylpropyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369660
N-[[2-(1-methoxyethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364548
N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 113459711
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-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 114369718) is N-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is COC(C)Cc1nc(CC(C)C)c(CNC(C)(C)C)s1.
What is the InChIKey of N-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is CARGZSDKUBCPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-11(2)8-13-14(10-17-16(4,5)6)20-15(18-13)9-12(3)19-7/h11-12,17H,8-10H2,1-7H3.
What are the key properties of N-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 298.50 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114369718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).