N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

C17H23N3OS — CID 56750480

IUPACN-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2sc(C(C)C)nc2C)nc1
InChIInChI=1S/C17H23N3OS/c1-6-13-7-8-14(18-9-13)10-20(5)17(21)15-12(4)19-16(22-15)11(2)3/h7-9,11H,6,10H2,1-5H3
InChIKeyNFHOZOBWHXHQLJ-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.80
Rot. Bonds5

About N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 56750480) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID56750480
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2sc(C(C)C)nc2C)nc1
InChIInChI=1S/C17H23N3OS/c1-6-13-7-8-14(18-9-13)10-20(5)17(21)15-12(4)19-16(22-15)11(2)3/h7-9,11H,6,10H2,1-5H3
InChIKeyNFHOZOBWHXHQLJ-UHFFFAOYSA-N
XLogP3.80
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 56750480) is N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is CCc1ccc(CN(C)C(=O)c2sc(C(C)C)nc2C)nc1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is NFHOZOBWHXHQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-6-13-7-8-14(18-9-13)10-20(5)17(21)15-12(4)19-16(22-15)11(2)3/h7-9,11H,6,10H2,1-5H3.
What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56750480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).