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

C15H26N2OS — CID 114368103

IUPACN-[[4-cyclopropyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCCOCc1nc(C2CC2)c(CNC(C)(C)C)s1
InChIInChI=1S/C15H26N2OS/c1-5-8-18-10-13-17-14(11-6-7-11)12(19-13)9-16-15(2,3)4/h11,16H,5-10H2,1-4H3
InChIKeyQYUIYPKJYWGXNS-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.84
Rot. Bonds7

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

N-[[4-cyclopropyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 114368103) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID114368103
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-[[4-cyclopropyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCCOCc1nc(C2CC2)c(CNC(C)(C)C)s1
InChIInChI=1S/C15H26N2OS/c1-5-8-18-10-13-17-14(11-6-7-11)12(19-13)9-16-15(2,3)4/h11,16H,5-10H2,1-4H3
InChIKeyQYUIYPKJYWGXNS-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114367975
N-[[4-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 103476490
5-[(tert-butylamino)methyl]-4-cyclopropyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine
CID 63916373
1-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 82436151
5-[(tert-butylamino)methyl]-4-cyclopropyl-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine
CID 63916442
N-[[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103150649
N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841779
N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364603
1-[4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82436409
N-[[2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114367891
1-[4-cyclopropyl-2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367019
N-methyl-1-[4-methyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 62403199

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-cyclopropyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 114368103) is N-[[4-cyclopropyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-cyclopropyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is CCCOCc1nc(C2CC2)c(CNC(C)(C)C)s1.
What is the InChIKey of N-[[4-cyclopropyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is QYUIYPKJYWGXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-5-8-18-10-13-17-14(11-6-7-11)12(19-13)9-16-15(2,3)4/h11,16H,5-10H2,1-4H3.
What are the key properties of N-[[4-cyclopropyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[4-cyclopropyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 282.45 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114368103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).