N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-6-(4-methylpyrazol-1-yl)pyridin-2-amine

C17H21N5OS — CID 97325361

IUPACN-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-6-(4-methylpyrazol-1-yl)pyridin-2-amine
SMILESCO[C@@H](C)c1nc(CN(C)c2cccc(-n3cc(C)cn3)n2)cs1
InChIInChI=1S/C17H21N5OS/c1-12-8-18-22(9-12)16-7-5-6-15(20-16)21(3)10-14-11-24-17(19-14)13(2)23-4/h5-9,11,13H,10H2,1-4H3/t13-/m0/s1
InChIKeyUDFJOIOBRBMPHW-ZDUSSCGKSA-N
MW343.46 g/mol
LogP3.38
Rot. Bonds6

About N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-6-(4-methylpyrazol-1-yl)pyridin-2-amine

N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-6-(4-methylpyrazol-1-yl)pyridin-2-amine (PubChem CID 97325361) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-6-(4-methylpyrazol-1-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-6-(4-methylpyrazol-1-yl)pyridin-2-amine
PubChem CID97325361
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC NameN-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-6-(4-methylpyrazol-1-yl)pyridin-2-amine
SMILESCO[C@@H](C)c1nc(CN(C)c2cccc(-n3cc(C)cn3)n2)cs1
InChIInChI=1S/C17H21N5OS/c1-12-8-18-22(9-12)16-7-5-6-15(20-16)21(3)10-14-11-24-17(19-14)13(2)23-4/h5-9,11,13H,10H2,1-4H3/t13-/m0/s1
InChIKeyUDFJOIOBRBMPHW-ZDUSSCGKSA-N
XLogP3.38
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-6-(4-methylpyrazol-1-yl)pyridin-2-amine?
The IUPAC name of N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-6-(4-methylpyrazol-1-yl)pyridin-2-amine (CID 97325361) is N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-6-(4-methylpyrazol-1-yl)pyridin-2-amine.
What is the SMILES notation for N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-6-(4-methylpyrazol-1-yl)pyridin-2-amine?
The canonical SMILES for N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-6-(4-methylpyrazol-1-yl)pyridin-2-amine is CO[C@@H](C)c1nc(CN(C)c2cccc(-n3cc(C)cn3)n2)cs1.
What is the InChIKey of N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-6-(4-methylpyrazol-1-yl)pyridin-2-amine?
The InChIKey is UDFJOIOBRBMPHW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-12-8-18-22(9-12)16-7-5-6-15(20-16)21(3)10-14-11-24-17(19-14)13(2)23-4/h5-9,11,13H,10H2,1-4H3/t13-/m0/s1.
What are the key properties of N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-6-(4-methylpyrazol-1-yl)pyridin-2-amine?
N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-6-(4-methylpyrazol-1-yl)pyridin-2-amine has a molecular weight of 343.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-6-(4-methylpyrazol-1-yl)pyridin-2-amine is sourced from PubChem (CID 97325361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).