N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-amine

C19H29N5S — CID 72929445

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-amine
SMILESCCc1cc(N2CCC(NCCc3nc(C)c(C)s3)CC2)nc(C)n1
InChIInChI=1S/C19H29N5S/c1-5-16-12-18(23-15(4)22-16)24-10-7-17(8-11-24)20-9-6-19-21-13(2)14(3)25-19/h12,17,20H,5-11H2,1-4H3
InChIKeyBTFMOZJKOYUKFQ-UHFFFAOYSA-N
MW359.54 g/mol
LogP3.22
Rot. Bonds6

About N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-amine

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-amine (PubChem CID 72929445) has the molecular formula C19H29N5S and a molecular weight of 359.54 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-amine
PubChem CID72929445
Molecular FormulaC19H29N5S
Molecular Weight359.54 g/mol
Exact Mass359.21
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-amine
SMILESCCc1cc(N2CCC(NCCc3nc(C)c(C)s3)CC2)nc(C)n1
InChIInChI=1S/C19H29N5S/c1-5-16-12-18(23-15(4)22-16)24-10-7-17(8-11-24)20-9-6-19-21-13(2)14(3)25-19/h12,17,20H,5-11H2,1-4H3
InChIKeyBTFMOZJKOYUKFQ-UHFFFAOYSA-N
XLogP3.22
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-amine (CID 72929445) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-amine is CCc1cc(N2CCC(NCCc3nc(C)c(C)s3)CC2)nc(C)n1.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-amine?
The InChIKey is BTFMOZJKOYUKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5S/c1-5-16-12-18(23-15(4)22-16)24-10-7-17(8-11-24)20-9-6-19-21-13(2)14(3)25-19/h12,17,20H,5-11H2,1-4H3.
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-amine?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-amine has a molecular weight of 359.54 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 72929445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).