N-[[2-[cyclopropyl(methoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine

C13H22N2OS — CID 116730560

IUPACN-[[2-[cyclopropyl(methoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOC(c1nc(C)c(CNC(C)C)s1)C1CC1
InChIInChI=1S/C13H22N2OS/c1-8(2)14-7-11-9(3)15-13(17-11)12(16-4)10-5-6-10/h8,10,12,14H,5-7H2,1-4H3
InChIKeyBZEHWSPDBDIJNH-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.05
Rot. Bonds6

About N-[[2-[cyclopropyl(methoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-[cyclopropyl(methoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 116730560) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[[2-[cyclopropyl(methoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[cyclopropyl(methoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID116730560
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[[2-[cyclopropyl(methoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOC(c1nc(C)c(CNC(C)C)s1)C1CC1
InChIInChI=1S/C13H22N2OS/c1-8(2)14-7-11-9(3)15-13(17-11)12(16-4)10-5-6-10/h8,10,12,14H,5-7H2,1-4H3
InChIKeyBZEHWSPDBDIJNH-UHFFFAOYSA-N
XLogP3.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116727916
1-[2-[cyclopropyl(methoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366002
N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103503686
N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116730822
N-[[2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116777889
1-[4-tert-butyl-2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362453
N-cyclopentyl-2-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propanamide
CID 50956481
N-[[2-[cyclohexyl(methoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116778093
N-[[4-methyl-2-(2-methylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 65419578
N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62402343
N-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 116778665
N-[[4-methyl-2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114540531

Frequently Asked Questions

What is the IUPAC name of N-[[2-[cyclopropyl(methoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[cyclopropyl(methoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 116730560) is N-[[2-[cyclopropyl(methoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[cyclopropyl(methoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[cyclopropyl(methoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine is COC(c1nc(C)c(CNC(C)C)s1)C1CC1.
What is the InChIKey of N-[[2-[cyclopropyl(methoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is BZEHWSPDBDIJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-8(2)14-7-11-9(3)15-13(17-11)12(16-4)10-5-6-10/h8,10,12,14H,5-7H2,1-4H3.
What are the key properties of N-[[2-[cyclopropyl(methoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-[cyclopropyl(methoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 254.40 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[cyclopropyl(methoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 116730560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).