5-[[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine

C14H21N5S — CID 120900236

IUPAC5-[[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCCc1nccn1C1CCCN(Cc2cnc(N)s2)C1
InChIInChI=1S/C14H21N5S/c1-2-13-16-5-7-19(13)11-4-3-6-18(9-11)10-12-8-17-14(15)20-12/h5,7-8,11H,2-4,6,9-10H2,1H3,(H2,15,17)
InChIKeyNTVFFTGSRWEXHZ-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.32
Rot. Bonds4

About 5-[[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine

5-[[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120900236) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 5-[[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120900236
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name5-[[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCCc1nccn1C1CCCN(Cc2cnc(N)s2)C1
InChIInChI=1S/C14H21N5S/c1-2-13-16-5-7-19(13)11-4-3-6-18(9-11)10-12-8-17-14(15)20-12/h5,7-8,11H,2-4,6,9-10H2,1H3,(H2,15,17)
InChIKeyNTVFFTGSRWEXHZ-UHFFFAOYSA-N
XLogP2.32
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901193
5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120905660
5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771683
5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903499
5-[(4-propylazepan-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772441
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-3-yl]butanamide
CID 120899494
2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391
5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 115883982
5-[[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900208
4-(2-ethylimidazol-1-yl)-1-methylazepane
CID 84734196
5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 131944851
5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120901186

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 120900236) is 5-[[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is CCc1nccn1C1CCCN(Cc2cnc(N)s2)C1.
What is the InChIKey of 5-[[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is NTVFFTGSRWEXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-2-13-16-5-7-19(13)11-4-3-6-18(9-11)10-12-8-17-14(15)20-12/h5,7-8,11H,2-4,6,9-10H2,1H3,(H2,15,17).
What are the key properties of 5-[[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 291.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120900236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).