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

C13H23N3S — CID 65169706

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCCN1CCC(CNc2nc(C)c(C)s2)CC1
InChIInChI=1S/C13H23N3S/c1-4-16-7-5-12(6-8-16)9-14-13-15-10(2)11(3)17-13/h12H,4-9H2,1-3H3,(H,14,15)
InChIKeyKLVZPRPBMKZARV-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.90
Rot. Bonds4

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

N-[(1-ethylpiperidin-4-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 65169706) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID65169706
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCCN1CCC(CNc2nc(C)c(C)s2)CC1
InChIInChI=1S/C13H23N3S/c1-4-16-7-5-12(6-8-16)9-14-13-15-10(2)11(3)17-13/h12H,4-9H2,1-3H3,(H,14,15)
InChIKeyKLVZPRPBMKZARV-UHFFFAOYSA-N
XLogP2.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169165
ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526554
3-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclobutan-1-ol
CID 66005707
4,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 65169595
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142498
N-[(3-chlorocyclohexyl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 106125446
4,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine
CID 65169756
7-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 60857378
4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine
CID 83153002
6-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80811735
N-(3-cyclopropylpropyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 115691858
N-(2-cyclopentylethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169325

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine (CID 65169706) is N-[(1-ethylpiperidin-4-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine is CCN1CCC(CNc2nc(C)c(C)s2)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is KLVZPRPBMKZARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-16-7-5-12(6-8-16)9-14-13-15-10(2)11(3)17-13/h12H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine?
N-[(1-ethylpiperidin-4-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 65169706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).