N-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C12H21N3OS — CID 82441422

IUPACN-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOCc1nc(CN(C)C)sc1CNC1CC1
InChIInChI=1S/C12H21N3OS/c1-15(2)7-12-14-10(8-16-3)11(17-12)6-13-9-4-5-9/h9,13H,4-8H2,1-3H3
InChIKeyZUSKZEWAALOILS-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.60
Rot. Bonds7

About N-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 82441422) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID82441422
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOCc1nc(CN(C)C)sc1CNC1CC1
InChIInChI=1S/C12H21N3OS/c1-15(2)7-12-14-10(8-16-3)11(17-12)6-13-9-4-5-9/h9,13H,4-8H2,1-3H3
InChIKeyZUSKZEWAALOILS-UHFFFAOYSA-N
XLogP1.60
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440145
N-[[4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440685
N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440818
N-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82439344
5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107510728
N-[[2-[(dimethylamino)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 113497316
5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 107510227
5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
CID 107509734
N-[[2-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82433073
N-[[4-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114366610
N-[[2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441928
N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441911

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 82441422) is N-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is COCc1nc(CN(C)C)sc1CNC1CC1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is ZUSKZEWAALOILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-15(2)7-12-14-10(8-16-3)11(17-12)6-13-9-4-5-9/h9,13H,4-8H2,1-3H3.
What are the key properties of N-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 255.39 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82441422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).