N,N,4-trimethyl-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-3-yl]pyrimidine-5-carboxamide

C18H24N6O2S — CID 110248061

IUPACN,N,4-trimethyl-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-3-yl]pyrimidine-5-carboxamide
SMILESCc1nc(C2CCCN(CC(=O)Nc3nccs3)C2)ncc1C(=O)N(C)C
InChIInChI=1S/C18H24N6O2S/c1-12-14(17(26)23(2)3)9-20-16(21-12)13-5-4-7-24(10-13)11-15(25)22-18-19-6-8-27-18/h6,8-9,13H,4-5,7,10-11H2,1-3H3,(H,19,22,25)
InChIKeyRLPWSADLXIGSBJ-UHFFFAOYSA-N
MW388.50 g/mol
LogP1.76
Rot. Bonds5

About N,N,4-trimethyl-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-3-yl]pyrimidine-5-carboxamide

N,N,4-trimethyl-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-3-yl]pyrimidine-5-carboxamide (PubChem CID 110248061) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-3-yl]pyrimidine-5-carboxamide
PubChem CID110248061
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC NameN,N,4-trimethyl-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-3-yl]pyrimidine-5-carboxamide
SMILESCc1nc(C2CCCN(CC(=O)Nc3nccs3)C2)ncc1C(=O)N(C)C
InChIInChI=1S/C18H24N6O2S/c1-12-14(17(26)23(2)3)9-20-16(21-12)13-5-4-7-24(10-13)11-15(25)22-18-19-6-8-27-18/h6,8-9,13H,4-5,7,10-11H2,1-3H3,(H,19,22,25)
InChIKeyRLPWSADLXIGSBJ-UHFFFAOYSA-N
XLogP1.76
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-3-yl]pyrimidine-5-carboxamide (CID 110248061) is N,N,4-trimethyl-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-3-yl]pyrimidine-5-carboxamide is Cc1nc(C2CCCN(CC(=O)Nc3nccs3)C2)ncc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-3-yl]pyrimidine-5-carboxamide?
The InChIKey is RLPWSADLXIGSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c1-12-14(17(26)23(2)3)9-20-16(21-12)13-5-4-7-24(10-13)11-15(25)22-18-19-6-8-27-18/h6,8-9,13H,4-5,7,10-11H2,1-3H3,(H,19,22,25).
What are the key properties of N,N,4-trimethyl-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-3-yl]pyrimidine-5-carboxamide?
N,N,4-trimethyl-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-3-yl]pyrimidine-5-carboxamide has a molecular weight of 388.50 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 110248061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).