N-[cyclopropyl(1,3-thiazol-2-yl)methyl]pentan-3-amine

C12H20N2S — CID 115724090

IUPACN-[cyclopropyl(1,3-thiazol-2-yl)methyl]pentan-3-amine
SMILESCCC(CC)NC(c1nccs1)C1CC1
InChIInChI=1S/C12H20N2S/c1-3-10(4-2)14-11(9-5-6-9)12-13-7-8-15-12/h7-11,14H,3-6H2,1-2H3
InChIKeyVVSFDUNEMTVUNQ-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.37
Rot. Bonds6

About N-[cyclopropyl(1,3-thiazol-2-yl)methyl]pentan-3-amine

N-[cyclopropyl(1,3-thiazol-2-yl)methyl]pentan-3-amine (PubChem CID 115724090) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[cyclopropyl(1,3-thiazol-2-yl)methyl]pentan-3-amine.

Molecular Properties

Compound NameN-[cyclopropyl(1,3-thiazol-2-yl)methyl]pentan-3-amine
PubChem CID115724090
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[cyclopropyl(1,3-thiazol-2-yl)methyl]pentan-3-amine
SMILESCCC(CC)NC(c1nccs1)C1CC1
InChIInChI=1S/C12H20N2S/c1-3-10(4-2)14-11(9-5-6-9)12-13-7-8-15-12/h7-11,14H,3-6H2,1-2H3
InChIKeyVVSFDUNEMTVUNQ-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-2-amine
CID 107133299
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]cyclopentanamine
CID 115724082
2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]amino]ethanol
CID 46785170
N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-1-amine
CID 107133293
(1S)-1-(5-bromofuran-2-yl)-N-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]ethanamine
CID 124625282
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 95968029
(2R)-2-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824361
(2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824359
N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]cyclopropanamine
CID 107133305
(2R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide
CID 99803435
(1S,3R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 100908270
(1R,3R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 100908267

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]pentan-3-amine?
The IUPAC name of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]pentan-3-amine (CID 115724090) is N-[cyclopropyl(1,3-thiazol-2-yl)methyl]pentan-3-amine.
What is the SMILES notation for N-[cyclopropyl(1,3-thiazol-2-yl)methyl]pentan-3-amine?
The canonical SMILES for N-[cyclopropyl(1,3-thiazol-2-yl)methyl]pentan-3-amine is CCC(CC)NC(c1nccs1)C1CC1.
What is the InChIKey of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]pentan-3-amine?
The InChIKey is VVSFDUNEMTVUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-3-10(4-2)14-11(9-5-6-9)12-13-7-8-15-12/h7-11,14H,3-6H2,1-2H3.
What are the key properties of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]pentan-3-amine?
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]pentan-3-amine has a molecular weight of 224.37 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(1,3-thiazol-2-yl)methyl]pentan-3-amine is sourced from PubChem (CID 115724090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).