N-[(1S)-1-[4-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide

C19H21N5OS — CID 58706714

IUPACN-[(1S)-1-[4-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1nc(C)c(-c2cccc(Nc3cc(C)ccn3)n2)s1
InChIInChI=1S/C19H21N5OS/c1-11-8-9-20-17(10-11)24-16-7-5-6-15(23-16)18-12(2)22-19(26-18)13(3)21-14(4)25/h5-10,13H,1-4H3,(H,21,25)(H,20,23,24)/t13-/m0/s1
InChIKeyVWDHJFRABUEUQK-ZDUSSCGKSA-N
MW367.48 g/mol
LogP4.16
Rot. Bonds5

About N-[(1S)-1-[4-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide

N-[(1S)-1-[4-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide (PubChem CID 58706714) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is N-[(1S)-1-[4-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide
PubChem CID58706714
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC NameN-[(1S)-1-[4-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1nc(C)c(-c2cccc(Nc3cc(C)ccn3)n2)s1
InChIInChI=1S/C19H21N5OS/c1-11-8-9-20-17(10-11)24-16-7-5-6-15(23-16)18-12(2)22-19(26-18)13(3)21-14(4)25/h5-10,13H,1-4H3,(H,21,25)(H,20,23,24)/t13-/m0/s1
InChIKeyVWDHJFRABUEUQK-ZDUSSCGKSA-N
XLogP4.16
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide (CID 58706714) is N-[(1S)-1-[4-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide is CC(=O)N[C@@H](C)c1nc(C)c(-c2cccc(Nc3cc(C)ccn3)n2)s1.
What is the InChIKey of N-[(1S)-1-[4-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide?
The InChIKey is VWDHJFRABUEUQK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-11-8-9-20-17(10-11)24-16-7-5-6-15(23-16)18-12(2)22-19(26-18)13(3)21-14(4)25/h5-10,13H,1-4H3,(H,21,25)(H,20,23,24)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-[4-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide?
N-[(1S)-1-[4-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide has a molecular weight of 367.48 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-methyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 58706714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).