N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine

C16H30N4S — CID 62424646

IUPACN-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)Cc2csc(CNC(C)(C)C)n2)CC1
InChIInChI=1S/C16H30N4S/c1-16(2,3)17-10-15-18-13(12-21-15)11-20(5)14-6-8-19(4)9-7-14/h12,14,17H,6-11H2,1-5H3
InChIKeyVYUSQIKIQXUEQY-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.56
Rot. Bonds5

About N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine

N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 62424646) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID62424646
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC NameN-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)Cc2csc(CNC(C)(C)C)n2)CC1
InChIInChI=1S/C16H30N4S/c1-16(2,3)17-10-15-18-13(12-21-15)11-20(5)14-6-8-19(4)9-7-14/h12,14,17H,6-11H2,1-5H3
InChIKeyVYUSQIKIQXUEQY-UHFFFAOYSA-N
XLogP2.56
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423737
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62427454
2-methyl-N-[[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 63208878
2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62437368
N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethylpropan-1-amine
CID 62461729
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 62418324
N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 62413200
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine
CID 62433830
N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine
CID 62421494
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine
CID 62434020
N-[[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 79183672
N-[[4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 79313224

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine (CID 62424646) is N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)Cc2csc(CNC(C)(C)C)n2)CC1.
What is the InChIKey of N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is VYUSQIKIQXUEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-16(2,3)17-10-15-18-13(12-21-15)11-20(5)14-6-8-19(4)9-7-14/h12,14,17H,6-11H2,1-5H3.
What are the key properties of N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine?
N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 310.51 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 62424646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).