N-[5-[6-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide

C17H18ClN5O2S — CID 87176911

IUPACN-[5-[6-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cnc(Cl)c(NCc3c(C)noc3C)c2)s1
InChIInChI=1S/C17H18ClN5O2S/c1-8-13(10(3)25-23-8)7-19-14-5-12(6-20-16(14)18)15-9(2)21-17(26-15)22-11(4)24/h5-6,19H,7H2,1-4H3,(H,21,22,24)
InChIKeyPOPOEZMTWBFNEM-UHFFFAOYSA-N
MW391.88 g/mol
LogP4.34
Rot. Bonds5

About N-[5-[6-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[6-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 87176911) has the molecular formula C17H18ClN5O2S and a molecular weight of 391.88 g/mol. Its IUPAC name is N-[5-[6-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[6-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID87176911
Molecular FormulaC17H18ClN5O2S
Molecular Weight391.88 g/mol
Exact Mass391.09
IUPAC NameN-[5-[6-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cnc(Cl)c(NCc3c(C)noc3C)c2)s1
InChIInChI=1S/C17H18ClN5O2S/c1-8-13(10(3)25-23-8)7-19-14-5-12(6-20-16(14)18)15-9(2)21-17(26-15)22-11(4)24/h5-6,19H,7H2,1-4H3,(H,21,22,24)
InChIKeyPOPOEZMTWBFNEM-UHFFFAOYSA-N
XLogP4.34
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[6-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 87176911) is N-[5-[6-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[6-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[6-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2cnc(Cl)c(NCc3c(C)noc3C)c2)s1.
What is the InChIKey of N-[5-[6-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is POPOEZMTWBFNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2S/c1-8-13(10(3)25-23-8)7-19-14-5-12(6-20-16(14)18)15-9(2)21-17(26-15)22-11(4)24/h5-6,19H,7H2,1-4H3,(H,21,22,24).
What are the key properties of N-[5-[6-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[6-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 391.88 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 87176911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).