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

C16H31N3S — CID 62766541

IUPAC5-[(tert-butylamino)methyl]-N,4-diethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(CC)CC(C)C)sc1CNC(C)(C)C
InChIInChI=1S/C16H31N3S/c1-8-13-14(10-17-16(5,6)7)20-15(18-13)19(9-2)11-12(3)4/h12,17H,8-11H2,1-7H3
InChIKeyMXQSGNXPYYKFQV-UHFFFAOYSA-N
MW297.51 g/mol
LogP4.08
Rot. Bonds7

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

5-[(tert-butylamino)methyl]-N,4-diethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine (PubChem CID 62766541) has the molecular formula C16H31N3S and a molecular weight of 297.51 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N,4-diethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N,4-diethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
PubChem CID62766541
Molecular FormulaC16H31N3S
Molecular Weight297.51 g/mol
Exact Mass297.22
IUPAC Name5-[(tert-butylamino)methyl]-N,4-diethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(CC)CC(C)C)sc1CNC(C)(C)C
InChIInChI=1S/C16H31N3S/c1-8-13-14(10-17-16(5,6)7)20-15(18-13)19(9-2)11-12(3)4/h12,17H,8-11H2,1-7H3
InChIKeyMXQSGNXPYYKFQV-UHFFFAOYSA-N
XLogP4.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(tert-butylamino)methyl]-N-ethyl-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382199
N,4-diethyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62766538
5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine
CID 62765856
5-[(tert-butylamino)methyl]-4-ethyl-N-methyl-N-pentan-2-yl-1,3-thiazol-2-amine
CID 62769033
5-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine
CID 62768327
5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62768729
N-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114369727
5-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 79480965
5-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine
CID 63656947
5-[(tert-butylamino)methyl]-4-ethyl-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine
CID 79843946
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 104841978
N-[[2-(2,2-dimethylpropyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 104841999

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N,4-diethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N,4-diethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine (CID 62766541) is 5-[(tert-butylamino)methyl]-N,4-diethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N,4-diethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N,4-diethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine is CCc1nc(N(CC)CC(C)C)sc1CNC(C)(C)C.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N,4-diethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The InChIKey is MXQSGNXPYYKFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3S/c1-8-13-14(10-17-16(5,6)7)20-15(18-13)19(9-2)11-12(3)4/h12,17H,8-11H2,1-7H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N,4-diethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-N,4-diethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine has a molecular weight of 297.51 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N,4-diethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62766541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).