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

C16H27N3S — CID 62439128

IUPACN-[[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCCCC1CCN(Cc2csc(CNC3CC3)n2)CC1
InChIInChI=1S/C16H27N3S/c1-2-3-13-6-8-19(9-7-13)11-15-12-20-16(18-15)10-17-14-4-5-14/h12-14,17H,2-11H2,1H3
InChIKeyWRWFQEPRKNFDAU-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.41
Rot. Bonds7

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

N-[[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 62439128) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID62439128
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-[[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCCCC1CCN(Cc2csc(CNC3CC3)n2)CC1
InChIInChI=1S/C16H27N3S/c1-2-3-13-6-8-19(9-7-13)11-15-12-20-16(18-15)10-17-14-4-5-14/h12-14,17H,2-11H2,1H3
InChIKeyWRWFQEPRKNFDAU-UHFFFAOYSA-N
XLogP3.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 63848766
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-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62411427
1-[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66388837
N-[[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 82515522
N-[[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62429350
N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 83221719
N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride
CID 119922529
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699
N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62450778
N-[[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 63218474

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 62439128) is N-[[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is CCCC1CCN(Cc2csc(CNC3CC3)n2)CC1.
What is the InChIKey of N-[[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is WRWFQEPRKNFDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-2-3-13-6-8-19(9-7-13)11-15-12-20-16(18-15)10-17-14-4-5-14/h12-14,17H,2-11H2,1H3.
What are the key properties of N-[[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 293.48 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62439128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).