N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-1-thiophen-3-ylpropan-2-amine

C18H27N3S2 — CID 75428140

IUPACN-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCc1nc(CN2CCC(CNC(C)Cc3ccsc3)CC2)cs1
InChIInChI=1S/C18H27N3S2/c1-14(9-17-5-8-22-12-17)19-10-16-3-6-21(7-4-16)11-18-13-23-15(2)20-18/h5,8,12-14,16,19H,3-4,6-7,9-11H2,1-2H3
InChIKeyFXDRWVMUBNFXGZ-UHFFFAOYSA-N
MW349.57 g/mol
LogP3.95
Rot. Bonds7

About N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-1-thiophen-3-ylpropan-2-amine

N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 75428140) has the molecular formula C18H27N3S2 and a molecular weight of 349.57 g/mol. Its IUPAC name is N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID75428140
Molecular FormulaC18H27N3S2
Molecular Weight349.57 g/mol
Exact Mass349.16
IUPAC NameN-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCc1nc(CN2CCC(CNC(C)Cc3ccsc3)CC2)cs1
InChIInChI=1S/C18H27N3S2/c1-14(9-17-5-8-22-12-17)19-10-16-3-6-21(7-4-16)11-18-13-23-15(2)20-18/h5,8,12-14,16,19H,3-4,6-7,9-11H2,1-2H3
InChIKeyFXDRWVMUBNFXGZ-UHFFFAOYSA-N
XLogP3.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.57
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-1-thiophen-3-ylpropan-2-amine with MolForge

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Related Compounds

N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 63250806
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 55258935
(1R)-1-(5-fluoro-3-pyridinyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 97231931
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133372614
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
2-methyl-4-[[7-(thiophen-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]methyl]-1,3-thiazole
CID 97399225
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 55168538
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
(2S)-2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 119366533
(3aR,7aR)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(thiophen-3-ylmethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97379312
1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine
CID 54953167
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-1-thiophen-3-ylpropan-2-amine (CID 75428140) is N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-1-thiophen-3-ylpropan-2-amine is Cc1nc(CN2CCC(CNC(C)Cc3ccsc3)CC2)cs1.
What is the InChIKey of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is FXDRWVMUBNFXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3S2/c1-14(9-17-5-8-22-12-17)19-10-16-3-6-21(7-4-16)11-18-13-23-15(2)20-18/h5,8,12-14,16,19H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-1-thiophen-3-ylpropan-2-amine?
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 349.57 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 75428140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).