N-(1-ethylpiperidin-4-yl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine

C15H28N4S — CID 62754452

IUPACN-(1-ethylpiperidin-4-yl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN1CCC(N(C)c2ncc(CNC(C)C)s2)CC1
InChIInChI=1S/C15H28N4S/c1-5-19-8-6-13(7-9-19)18(4)15-17-11-14(20-15)10-16-12(2)3/h11-13,16H,5-10H2,1-4H3
InChIKeyOSXPPEUXGGHXHF-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.56
Rot. Bonds6

About N-(1-ethylpiperidin-4-yl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine

N-(1-ethylpiperidin-4-yl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 62754452) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID62754452
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC NameN-(1-ethylpiperidin-4-yl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN1CCC(N(C)c2ncc(CNC(C)C)s2)CC1
InChIInChI=1S/C15H28N4S/c1-5-19-8-6-13(7-9-19)18(4)15-17-11-14(20-15)10-16-12(2)3/h11-13,16H,5-10H2,1-4H3
InChIKeyOSXPPEUXGGHXHF-UHFFFAOYSA-N
XLogP2.56
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopropylethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62751631
N-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62752283
methyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylate
CID 80571032
N-butan-2-yl-N-ethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62750265
N-(1-ethylpiperidin-4-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
CID 62294147
N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62888907
N,N-diethyl-5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 60856533
N-[[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82425037
5-[1-(ethylamino)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 55113578
N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 55114053
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 64984724
N,N-dimethyl-N'-(2-methylpropyl)-N'-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]ethane-1,2-diamine
CID 62753392

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (CID 62754452) is N-(1-ethylpiperidin-4-yl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is CCN1CCC(N(C)c2ncc(CNC(C)C)s2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is OSXPPEUXGGHXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-5-19-8-6-13(7-9-19)18(4)15-17-11-14(20-15)10-16-12(2)3/h11-13,16H,5-10H2,1-4H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
N-(1-ethylpiperidin-4-yl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 296.48 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62754452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).