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

C16H30N4S — CID 62429350

IUPACN-[[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(CN2CCC(CN(C)C)CC2)cs1
InChIInChI=1S/C16H30N4S/c1-4-7-17-10-16-18-15(13-21-16)12-20-8-5-14(6-9-20)11-19(2)3/h13-14,17H,4-12H2,1-3H3
InChIKeyAJOKRVAJFXFHTL-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.42
Rot. Bonds8

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

N-[[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine (PubChem CID 62429350) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is N-[[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
PubChem CID62429350
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC NameN-[[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(CN2CCC(CN(C)C)CC2)cs1
InChIInChI=1S/C16H30N4S/c1-4-7-17-10-16-18-15(13-21-16)12-20-8-5-14(6-9-20)11-19(2)3/h13-14,17H,4-12H2,1-3H3
InChIKeyAJOKRVAJFXFHTL-UHFFFAOYSA-N
XLogP2.42
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 54986069
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55070041
N-[[4-[[cyclohexylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62411836
N-[[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62439128
N-[[4-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 63705658
2-methyl-N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 103503363
N-[[4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62411427
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 62418324
N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62974619
N-[[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 82515435
N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62417685
N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride
CID 119922529

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine (CID 62429350) is N-[[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine is CCCNCc1nc(CN2CCC(CN(C)C)CC2)cs1.
What is the InChIKey of N-[[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The InChIKey is AJOKRVAJFXFHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-4-7-17-10-16-18-15(13-21-16)12-20-8-5-14(6-9-20)11-19(2)3/h13-14,17H,4-12H2,1-3H3.
What are the key properties of N-[[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
N-[[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine has a molecular weight of 310.51 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62429350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).