N-[[4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine

C16H29N3S — CID 62411427

IUPACN-[[4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(CN2CCC(C(C)(C)C)CC2)cs1
InChIInChI=1S/C16H29N3S/c1-5-17-10-15-18-14(12-20-15)11-19-8-6-13(7-9-19)16(2,3)4/h12-13,17H,5-11H2,1-4H3
InChIKeyVMSSUVKAXIRMRX-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.51
Rot. Bonds5

About N-[[4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine

N-[[4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 62411427) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-[[4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID62411427
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-[[4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(CN2CCC(C(C)(C)C)CC2)cs1
InChIInChI=1S/C16H29N3S/c1-5-17-10-15-18-14(12-20-15)11-19-8-6-13(7-9-19)16(2,3)4/h12-13,17H,5-11H2,1-4H3
InChIKeyVMSSUVKAXIRMRX-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62417685
2-methyl-N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 103503363
N-[[4-(1,4-thiazepan-4-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62413635
2-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66384875
4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 55033011
N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 102967937
N-[[4-(1,4-oxazepan-4-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62974846
N-[[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62439128
N-[[4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 55070265
N-[[4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 102745994
N-[[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62429350
1-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66384874

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine (CID 62411427) is N-[[4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine is CCNCc1nc(CN2CCC(C(C)(C)C)CC2)cs1.
What is the InChIKey of N-[[4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is VMSSUVKAXIRMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-5-17-10-15-18-14(12-20-15)11-19-8-6-13(7-9-19)16(2,3)4/h12-13,17H,5-11H2,1-4H3.
What are the key properties of N-[[4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
N-[[4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 295.50 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62411427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).