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

C14H23N3S — CID 63218474

IUPACN-[[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCC1(C)CCCN1Cc1csc(CNC2CC2)n1
InChIInChI=1S/C14H23N3S/c1-14(2)6-3-7-17(14)9-12-10-18-13(16-12)8-15-11-4-5-11/h10-11,15H,3-9H2,1-2H3
InChIKeyIRTRFAVNOPJTTI-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.77
Rot. Bonds5

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

N-[[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 63218474) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-[[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID63218474
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-[[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCC1(C)CCCN1Cc1csc(CNC2CC2)n1
InChIInChI=1S/C14H23N3S/c1-14(2)6-3-7-17(14)9-12-10-18-13(16-12)8-15-11-4-5-11/h10-11,15H,3-9H2,1-2H3
InChIKeyIRTRFAVNOPJTTI-UHFFFAOYSA-N
XLogP2.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63167181
N-[[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 114172725
N-[[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62439128
N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 83221719
N-[[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 82515522
N-[[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62440800
N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62450778
N-[4-[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]butyl]cyclopropanamine
CID 66339547
N-[[4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 79313224
N-[[4-(butoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62451710
N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62463271
N-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 116965296

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 63218474) is N-[[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is CC1(C)CCCN1Cc1csc(CNC2CC2)n1.
What is the InChIKey of N-[[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is IRTRFAVNOPJTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-14(2)6-3-7-17(14)9-12-10-18-13(16-12)8-15-11-4-5-11/h10-11,15H,3-9H2,1-2H3.
What are the key properties of N-[[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 265.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63218474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).