5-[(tert-butylamino)methyl]-N-cyclopropyl-N-ethyl-4-propyl-1,3-thiazol-2-amine

C16H29N3S — CID 62767617

IUPAC5-[(tert-butylamino)methyl]-N-cyclopropyl-N-ethyl-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(CC)C2CC2)sc1CNC(C)(C)C
InChIInChI=1S/C16H29N3S/c1-6-8-13-14(11-17-16(3,4)5)20-15(18-13)19(7-2)12-9-10-12/h12,17H,6-11H2,1-5H3
InChIKeyPGDJIFMEQWYKOK-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.97
Rot. Bonds7

About 5-[(tert-butylamino)methyl]-N-cyclopropyl-N-ethyl-4-propyl-1,3-thiazol-2-amine

5-[(tert-butylamino)methyl]-N-cyclopropyl-N-ethyl-4-propyl-1,3-thiazol-2-amine (PubChem CID 62767617) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-cyclopropyl-N-ethyl-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-cyclopropyl-N-ethyl-4-propyl-1,3-thiazol-2-amine
PubChem CID62767617
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name5-[(tert-butylamino)methyl]-N-cyclopropyl-N-ethyl-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(CC)C2CC2)sc1CNC(C)(C)C
InChIInChI=1S/C16H29N3S/c1-6-8-13-14(11-17-16(3,4)5)20-15(18-13)19(7-2)12-9-10-12/h12,17H,6-11H2,1-5H3
InChIKeyPGDJIFMEQWYKOK-UHFFFAOYSA-N
XLogP3.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(tert-butylamino)methyl]-N-cyclopropyl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62766730
N-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 114364609
5-[(tert-butylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 114364576
N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-4-propyl-1,3-thiazol-2-amine
CID 62768050
N-cyclopentyl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62766939
2-methyl-N-[[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364662
[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 55117430
5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine
CID 62765856
N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364603
5-(aminomethyl)-N-butyl-N-cyclopropyl-4-propyl-1,3-thiazol-2-amine
CID 62767526
N-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62764846
2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62765485

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-cyclopropyl-N-ethyl-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-cyclopropyl-N-ethyl-4-propyl-1,3-thiazol-2-amine (CID 62767617) is 5-[(tert-butylamino)methyl]-N-cyclopropyl-N-ethyl-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-cyclopropyl-N-ethyl-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-cyclopropyl-N-ethyl-4-propyl-1,3-thiazol-2-amine is CCCc1nc(N(CC)C2CC2)sc1CNC(C)(C)C.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-cyclopropyl-N-ethyl-4-propyl-1,3-thiazol-2-amine?
The InChIKey is PGDJIFMEQWYKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-6-8-13-14(11-17-16(3,4)5)20-15(18-13)19(7-2)12-9-10-12/h12,17H,6-11H2,1-5H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-cyclopropyl-N-ethyl-4-propyl-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-N-cyclopropyl-N-ethyl-4-propyl-1,3-thiazol-2-amine has a molecular weight of 295.50 g/mol, XLogP of 3.97, 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-cyclopropyl-N-ethyl-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62767617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).