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

C13H21N3OS — CID 62765325

IUPACN-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
SMILESCCc1nc(N2CCOCC2)sc1CNC1CC1
InChIInChI=1S/C13H21N3OS/c1-2-11-12(9-14-10-3-4-10)18-13(15-11)16-5-7-17-8-6-16/h10,14H,2-9H2,1H3
InChIKeyHTBJFQFELSPVGG-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.79
Rot. Bonds5

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

N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine (PubChem CID 62765325) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
PubChem CID62765325
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
SMILESCCc1nc(N2CCOCC2)sc1CNC1CC1
InChIInChI=1S/C13H21N3OS/c1-2-11-12(9-14-10-3-4-10)18-13(15-11)16-5-7-17-8-6-16/h10,14H,2-9H2,1H3
InChIKeyHTBJFQFELSPVGG-UHFFFAOYSA-N
XLogP1.79
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 62764992
N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 62765156
N-[[4-ethyl-2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62967451
N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62765360
N-[[4-(2-methylpropyl)-2-piperidin-1-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369268
N-[[2-(azepan-1-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369520
N-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104692540
N-[[2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441928
N-[[2-(3-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62767482
N-[[4-ethyl-2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 62967622
N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441911
N-[[2-(2-methyl-1,4-oxazepan-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62967101

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine (CID 62765325) is N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine is CCc1nc(N2CCOCC2)sc1CNC1CC1.
What is the InChIKey of N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The InChIKey is HTBJFQFELSPVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-11-12(9-14-10-3-4-10)18-13(15-11)16-5-7-17-8-6-16/h10,14H,2-9H2,1H3.
What are the key properties of N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine has a molecular weight of 267.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62765325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).