N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine

C14H25N3S — CID 63238570

IUPACN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
SMILESCc1csc(CCNC2CCN(C(C)C)CC2)n1
InChIInChI=1S/C14H25N3S/c1-11(2)17-8-5-13(6-9-17)15-7-4-14-16-12(3)10-18-14/h10-11,13,15H,4-9H2,1-3H3
InChIKeyLXCGGCQENPVZEG-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.46
Rot. Bonds5

About N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 63238570) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID63238570
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
SMILESCc1csc(CCNC2CCN(C(C)C)CC2)n1
InChIInChI=1S/C14H25N3S/c1-11(2)17-8-5-13(6-9-17)15-7-4-14-16-12(3)10-18-14/h10-11,13,15H,4-9H2,1-3H3
InChIKeyLXCGGCQENPVZEG-UHFFFAOYSA-N
XLogP2.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63238545
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 63239020
4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclohexan-1-ol
CID 106594624
2-methyl-1-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111319312
3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 104859672
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine
CID 63238611
1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1,3-diamine
CID 80562480
3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64752621
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine
CID 63335162
N-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 63242491
2-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 119132259
5,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thian-3-amine
CID 79958007

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine (CID 63238570) is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine is Cc1csc(CCNC2CCN(C(C)C)CC2)n1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is LXCGGCQENPVZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-11(2)17-8-5-13(6-9-17)15-7-4-14-16-12(3)10-18-14/h10-11,13,15H,4-9H2,1-3H3.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine?
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 267.44 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 63238570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).