1-[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]methanamine

C19H24N6OS — CID 124862439

IUPAC1-[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESC[C@H]1CN(c2ccc(CNCc3nc(-c4cnn(C)c4)cs3)cn2)CCO1
InChIInChI=1S/C19H24N6OS/c1-14-11-25(5-6-26-14)18-4-3-15(8-21-18)7-20-10-19-23-17(13-27-19)16-9-22-24(2)12-16/h3-4,8-9,12-14,20H,5-7,10-11H2,1-2H3/t14-/m0/s1
InChIKeyNAIWEDCTGNRWKS-AWEZNQCLSA-N
MW384.51 g/mol
LogP2.45
Rot. Bonds6

About 1-[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]methanamine

1-[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]methanamine (PubChem CID 124862439) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is 1-[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]methanamine
PubChem CID124862439
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC Name1-[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESC[C@H]1CN(c2ccc(CNCc3nc(-c4cnn(C)c4)cs3)cn2)CCO1
InChIInChI=1S/C19H24N6OS/c1-14-11-25(5-6-26-14)18-4-3-15(8-21-18)7-20-10-19-23-17(13-27-19)16-9-22-24(2)12-16/h3-4,8-9,12-14,20H,5-7,10-11H2,1-2H3/t14-/m0/s1
InChIKeyNAIWEDCTGNRWKS-AWEZNQCLSA-N
XLogP2.45
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]methanamine?
The IUPAC name of 1-[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]methanamine (CID 124862439) is 1-[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]methanamine is C[C@H]1CN(c2ccc(CNCc3nc(-c4cnn(C)c4)cs3)cn2)CCO1.
What is the InChIKey of 1-[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]methanamine?
The InChIKey is NAIWEDCTGNRWKS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-14-11-25(5-6-26-14)18-4-3-15(8-21-18)7-20-10-19-23-17(13-27-19)16-9-22-24(2)12-16/h3-4,8-9,12-14,20H,5-7,10-11H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]methanamine?
1-[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]methanamine has a molecular weight of 384.51 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]methanamine is sourced from PubChem (CID 124862439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).