N-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C16H26N2OS — CID 114367791

IUPACN-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCOC(c1nc(C2CC2)c(CNC2CC2)s1)C(C)C
InChIInChI=1S/C16H26N2OS/c1-4-19-15(10(2)3)16-18-14(11-5-6-11)13(20-16)9-17-12-7-8-12/h10-12,15,17H,4-9H2,1-3H3
InChIKeyKNBMGNNWGBXVBK-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.01
Rot. Bonds8

About N-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 114367791) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID114367791
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCOC(c1nc(C2CC2)c(CNC2CC2)s1)C(C)C
InChIInChI=1S/C16H26N2OS/c1-4-19-15(10(2)3)16-18-14(11-5-6-11)13(20-16)9-17-12-7-8-12/h10-12,15,17H,4-9H2,1-3H3
InChIKeyKNBMGNNWGBXVBK-UHFFFAOYSA-N
XLogP4.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367234
N-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367391
1-[4-cyclopropyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366979
4-cyclopropyl-5-[(cyclopropylamino)methyl]-1,3-thiazol-2-amine
CID 114367607
N-[[4-cyclopropyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367731
N-[[4-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114366610
2-(1-ethoxy-2-methylpropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 116727867
N-[[4-cyclopropyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367712
4-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methyl-1,3-thiazol-2-amine
CID 63915986
N-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82435835
N-[[2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368736
1-(4-cyclopropyl-2-pentan-3-yl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 82437062

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 114367791) is N-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CCOC(c1nc(C2CC2)c(CNC2CC2)s1)C(C)C.
What is the InChIKey of N-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is KNBMGNNWGBXVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-19-15(10(2)3)16-18-14(11-5-6-11)13(20-16)9-17-12-7-8-12/h10-12,15,17H,4-9H2,1-3H3.
What are the key properties of N-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 294.46 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114367791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).