1-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine

C16H30N4S — CID 81464653

IUPAC1-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCc1nc(N2CC(C)C(N(C)C)C2)sc1CNC(C)(C)C
InChIInChI=1S/C16H30N4S/c1-11-9-20(10-13(11)19(6)7)15-18-12(2)14(21-15)8-17-16(3,4)5/h11,13,17H,8-10H2,1-7H3
InChIKeyGCMYRGBXSBUSPG-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.73
Rot. Bonds4

About 1-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine

1-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81464653) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is 1-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81464653
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC Name1-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCc1nc(N2CC(C)C(N(C)C)C2)sc1CNC(C)(C)C
InChIInChI=1S/C16H30N4S/c1-11-9-20(10-13(11)19(6)7)15-18-12(2)14(21-15)8-17-16(3,4)5/h11,13,17H,8-10H2,1-7H3
InChIKeyGCMYRGBXSBUSPG-UHFFFAOYSA-N
XLogP2.73
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine with MolForge

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Related Compounds

N-[[2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62763985
N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 102968523
2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62967794
1-[5-(ethylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464775
N-[[2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62930842
1-[4-chloro-5-(chloromethyl)-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474880
[4-chloro-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol
CID 81474876
1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 107510640
N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 64580444
5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767600
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113307331
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 62768606

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81464653) is 1-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine is Cc1nc(N2CC(C)C(N(C)C)C2)sc1CNC(C)(C)C.
What is the InChIKey of 1-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is GCMYRGBXSBUSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-11-9-20(10-13(11)19(6)7)15-18-12(2)14(21-15)8-17-16(3,4)5/h11,13,17H,8-10H2,1-7H3.
What are the key properties of 1-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 310.51 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81464653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).