N-[2-[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine

C14H24N2OS — CID 114275622

IUPACN-[2-[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
SMILESCOC(c1nc(CCNC2CC2)cs1)C(C)(C)C
InChIInChI=1S/C14H24N2OS/c1-14(2,3)12(17-4)13-16-11(9-18-13)7-8-15-10-5-6-10/h9-10,12,15H,5-8H2,1-4H3
InChIKeyLBPYQQHWTLCVBH-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.17
Rot. Bonds6

About N-[2-[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine

N-[2-[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine (PubChem CID 114275622) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[2-[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
PubChem CID114275622
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-[2-[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
SMILESCOC(c1nc(CCNC2CC2)cs1)C(C)(C)C
InChIInChI=1S/C14H24N2OS/c1-14(2,3)12(17-4)13-16-11(9-18-13)7-8-15-10-5-6-10/h9-10,12,15H,5-8H2,1-4H3
InChIKeyLBPYQQHWTLCVBH-UHFFFAOYSA-N
XLogP3.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 116727927
N-[2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 102929515
N-butan-2-yl-4-[2-(cyclopropylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 114275792
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine
CID 115716272
N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 116727926
N-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 107925898
N-[[2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116730572
N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 103151329
tert-butyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103748044
3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine
CID 106039550
N-[4-[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]butyl]cyclopropanamine
CID 66339547
N-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116727895

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine (CID 114275622) is N-[2-[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine is COC(c1nc(CCNC2CC2)cs1)C(C)(C)C.
What is the InChIKey of N-[2-[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine?
The InChIKey is LBPYQQHWTLCVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-14(2,3)12(17-4)13-16-11(9-18-13)7-8-15-10-5-6-10/h9-10,12,15H,5-8H2,1-4H3.
What are the key properties of N-[2-[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine?
N-[2-[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine has a molecular weight of 268.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 114275622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).