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

C13H21N3S — CID 104973966

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESCc1nc(CN(CC2CCCN2)C2CC2)cs1
InChIInChI=1S/C13H21N3S/c1-10-15-12(9-17-10)8-16(13-4-5-13)7-11-3-2-6-14-11/h9,11,13-14H,2-8H2,1H3
InChIKeyMANDXZRFMUQIPN-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.17
Rot. Bonds5

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (PubChem CID 104973966) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
PubChem CID104973966
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESCc1nc(CN(CC2CCCN2)C2CC2)cs1
InChIInChI=1S/C13H21N3S/c1-10-15-12(9-17-10)8-16(13-4-5-13)7-11-3-2-6-14-11/h9,11,13-14H,2-8H2,1H3
InChIKeyMANDXZRFMUQIPN-UHFFFAOYSA-N
XLogP2.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603593
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624973
N-[(5-methyl-1,3-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599991
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603621
N-[(5-ethylthiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598928
N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599047
N-[(4-chloro-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599857
2-[[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]-4-ethyl-1H-pyrimidin-6-one
CID 137222262
N-[(3-methylfuran-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598988
N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631752
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604086
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 106049173

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (CID 104973966) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is Cc1nc(CN(CC2CCCN2)C2CC2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The InChIKey is MANDXZRFMUQIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-10-15-12(9-17-10)8-16(13-4-5-13)7-11-3-2-6-14-11/h9,11,13-14H,2-8H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine has a molecular weight of 251.40 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 104973966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).