N-(1-ethylpiperidin-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C13H25N3S — CID 114009797

IUPACN-(1-ethylpiperidin-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCN1CCCC(NC2=NC(C(C)C)CS2)C1
InChIInChI=1S/C13H25N3S/c1-4-16-7-5-6-11(8-16)14-13-15-12(9-17-13)10(2)3/h10-12H,4-9H2,1-3H3,(H,14,15)
InChIKeyYUJFFHPFXLEFAJ-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.19
Rot. Bonds3

About N-(1-ethylpiperidin-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

N-(1-ethylpiperidin-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 114009797) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID114009797
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN-(1-ethylpiperidin-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCN1CCCC(NC2=NC(C(C)C)CS2)C1
InChIInChI=1S/C13H25N3S/c1-4-16-7-5-6-11(8-16)14-13-15-12(9-17-13)10(2)3/h10-12H,4-9H2,1-3H3,(H,14,15)
InChIKeyYUJFFHPFXLEFAJ-UHFFFAOYSA-N
XLogP2.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpiperidin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106362995
4-propan-2-yl-N-(thian-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107858171
1-ethyl-N-(1-methylimidazol-2-yl)piperidin-3-amine
CID 62133127
6-chloro-2-N-(1-ethylpiperidin-3-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80801238
6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961869
1-ethyl-N-(4-methylpentan-2-yl)piperidin-3-amine
CID 61169975
N-(1-cyclohexylethyl)-1-ethylpiperidin-3-amine
CID 61170770
N-(1-ethylpiperidin-3-yl)-5,6-dimethylpyrazin-2-amine
CID 114475474
N-(1-ethylpiperidin-3-yl)-2-methylpyrimidin-4-amine
CID 62786064
N-(1-ethylpiperidin-3-yl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 102677438
(4S)-N-(dicyclopropylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79247412
(3R)-N-[di(cyclobutyl)methyl]-1-ethylpiperidin-3-amine
CID 124848782

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 114009797) is N-(1-ethylpiperidin-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CCN1CCCC(NC2=NC(C(C)C)CS2)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YUJFFHPFXLEFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-4-16-7-5-6-11(8-16)14-13-15-12(9-17-13)10(2)3/h10-12H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-(1-ethylpiperidin-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(1-ethylpiperidin-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 114009797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).