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

C16H22N2OS — CID 114368059

IUPACN-[[4-cyclopropyl-2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccoc1-c1nc(C2CC2)c(CNC(C)(C)C)s1
InChIInChI=1S/C16H22N2OS/c1-10-7-8-19-14(10)15-18-13(11-5-6-11)12(20-15)9-17-16(2,3)4/h7-8,11,17H,5-6,9H2,1-4H3
InChIKeyLPVZSHXEOXFZEA-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.48
Rot. Bonds4

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

N-[[4-cyclopropyl-2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 114368059) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID114368059
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[[4-cyclopropyl-2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccoc1-c1nc(C2CC2)c(CNC(C)(C)C)s1
InChIInChI=1S/C16H22N2OS/c1-10-7-8-19-14(10)15-18-13(11-5-6-11)12(20-15)9-17-16(2,3)4/h7-8,11,17H,5-6,9H2,1-4H3
InChIKeyLPVZSHXEOXFZEA-UHFFFAOYSA-N
XLogP4.48
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-cyclopropyl-2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-cyclopropyl-2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 114368059) is N-[[4-cyclopropyl-2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-cyclopropyl-2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is Cc1ccoc1-c1nc(C2CC2)c(CNC(C)(C)C)s1.
What is the InChIKey of N-[[4-cyclopropyl-2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is LPVZSHXEOXFZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-10-7-8-19-14(10)15-18-13(11-5-6-11)12(20-15)9-17-16(2,3)4/h7-8,11,17H,5-6,9H2,1-4H3.
What are the key properties of N-[[4-cyclopropyl-2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[4-cyclopropyl-2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 290.43 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114368059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).