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

C12H20N2S — CID 61335257

IUPACN-[1-(4-methyl-1,3-thiazol-2-yl)pentyl]cyclopropanamine
SMILESCCCCC(NC1CC1)c1nc(C)cs1
InChIInChI=1S/C12H20N2S/c1-3-4-5-11(14-10-6-7-10)12-13-9(2)8-15-12/h8,10-11,14H,3-7H2,1-2H3
InChIKeyDCUXDOGDXGUUOT-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.43
Rot. Bonds6

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

N-[1-(4-methyl-1,3-thiazol-2-yl)pentyl]cyclopropanamine (PubChem CID 61335257) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-2-yl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-2-yl)pentyl]cyclopropanamine
PubChem CID61335257
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[1-(4-methyl-1,3-thiazol-2-yl)pentyl]cyclopropanamine
SMILESCCCCC(NC1CC1)c1nc(C)cs1
InChIInChI=1S/C12H20N2S/c1-3-4-5-11(14-10-6-7-10)12-13-9(2)8-15-12/h8,10-11,14H,3-7H2,1-2H3
InChIKeyDCUXDOGDXGUUOT-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropyl]cyclopropanamine
CID 55128930
ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate
CID 97056254
N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)heptyl]cyclopropanamine
CID 61336236
4-methyl-2-pentan-2-yl-1,3-thiazole
CID 138644100
2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770608
ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 113451366
1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol
CID 104769495
2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104770268
N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]cyclopropanamine
CID 61333875
1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine
CID 61331846
N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]pentan-2-amine
CID 115724057
N-[(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 106531783

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)pentyl]cyclopropanamine?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)pentyl]cyclopropanamine (CID 61335257) is N-[1-(4-methyl-1,3-thiazol-2-yl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-2-yl)pentyl]cyclopropanamine?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-2-yl)pentyl]cyclopropanamine is CCCCC(NC1CC1)c1nc(C)cs1.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-2-yl)pentyl]cyclopropanamine?
The InChIKey is DCUXDOGDXGUUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-3-4-5-11(14-10-6-7-10)12-13-9(2)8-15-12/h8,10-11,14H,3-7H2,1-2H3.
What are the key properties of N-[1-(4-methyl-1,3-thiazol-2-yl)pentyl]cyclopropanamine?
N-[1-(4-methyl-1,3-thiazol-2-yl)pentyl]cyclopropanamine has a molecular weight of 224.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-2-yl)pentyl]cyclopropanamine is sourced from PubChem (CID 61335257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).