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

C12H18N2OS — CID 62385749

IUPACN-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESc1sc(C2CCOCC2)nc1CNC1CC1
InChIInChI=1S/C12H18N2OS/c1-2-10(1)13-7-11-8-16-12(14-11)9-3-5-15-6-4-9/h8-10,13H,1-7H2
InChIKeyRSBMIJBUBMVMQJ-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.29
Rot. Bonds4

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

N-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (PubChem CID 62385749) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
PubChem CID62385749
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESc1sc(C2CCOCC2)nc1CNC1CC1
InChIInChI=1S/C12H18N2OS/c1-2-10(1)13-7-11-8-16-12(14-11)9-3-5-15-6-4-9/h8-10,13H,1-7H2
InChIKeyRSBMIJBUBMVMQJ-UHFFFAOYSA-N
XLogP2.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 61280289
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]ethanol
CID 115087796
N,N-dimethyl-4-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine
CID 115671381
N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 79965491
N-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 79088243
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 63335816
N-[[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 65334244
2-(oxan-4-yl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888781
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
N-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 65404612
1-(2-cyclohexyl-1,3-thiazol-4-yl)-N-methylmethanamine
CID 61280857

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (CID 62385749) is N-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is c1sc(C2CCOCC2)nc1CNC1CC1.
What is the InChIKey of N-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The InChIKey is RSBMIJBUBMVMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-2-10(1)13-7-11-8-16-12(14-11)9-3-5-15-6-4-9/h8-10,13H,1-7H2.
What are the key properties of N-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
N-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine has a molecular weight of 238.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62385749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).