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

C11H17N3S2 — CID 62751766

IUPACN-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
SMILESc1nc(N2CCSCC2)sc1CNC1CC1
InChIInChI=1S/C11H17N3S2/c1-2-9(1)12-7-10-8-13-11(16-10)14-3-5-15-6-4-14/h8-9,12H,1-7H2
InChIKeyWQRWRSJEZBQCMZ-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.95
Rot. Bonds4

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

N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine (PubChem CID 62751766) has the molecular formula C11H17N3S2 and a molecular weight of 255.41 g/mol. Its IUPAC name is N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
PubChem CID62751766
Molecular FormulaC11H17N3S2
Molecular Weight255.41 g/mol
Exact Mass255.09
IUPAC NameN-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
SMILESc1nc(N2CCSCC2)sc1CNC1CC1
InChIInChI=1S/C11H17N3S2/c1-2-9(1)12-7-10-8-13-11(16-10)14-3-5-15-6-4-14/h8-9,12H,1-7H2
InChIKeyWQRWRSJEZBQCMZ-UHFFFAOYSA-N
XLogP1.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55113480
N-[[2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62931356
N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]formamide
CID 145277547
N-[[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79184432
4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]piperazine-2,6-dione
CID 66062982
N-[[2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62753549
N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82751675
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62755147
N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55112409
N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63890465
N-[[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114597283
4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]-3,3-dimethylpiperazin-2-one
CID 63605835

Frequently Asked Questions

What is the IUPAC name of N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine (CID 62751766) is N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine is c1nc(N2CCSCC2)sc1CNC1CC1.
What is the InChIKey of N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The InChIKey is WQRWRSJEZBQCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S2/c1-2-9(1)12-7-10-8-13-11(16-10)14-3-5-15-6-4-14/h8-9,12H,1-7H2.
What are the key properties of N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine has a molecular weight of 255.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62751766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).