N-[2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-6-methyl-4-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine

C21H28N6OS — CID 124994435

IUPACN-[2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-6-methyl-4-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1cc(Nc2nc(C)c(C)s2)cc([C@@H]2CN(Cc3cnn(C)c3C)CCO2)n1
InChIInChI=1S/C21H28N6OS/c1-13-8-18(25-21-24-14(2)16(4)29-21)9-19(23-13)20-12-27(6-7-28-20)11-17-10-22-26(5)15(17)3/h8-10,20H,6-7,11-12H2,1-5H3,(H,23,24,25)/t20-/m0/s1
InChIKeyQERFFQPLZQXIAN-FQEVSTJZSA-N
MW412.56 g/mol
LogP3.82
Rot. Bonds5

About N-[2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-6-methyl-4-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine

N-[2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-6-methyl-4-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 124994435) has the molecular formula C21H28N6OS and a molecular weight of 412.56 g/mol. Its IUPAC name is N-[2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-6-methyl-4-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-6-methyl-4-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID124994435
Molecular FormulaC21H28N6OS
Molecular Weight412.56 g/mol
Exact Mass412.20
IUPAC NameN-[2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-6-methyl-4-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1cc(Nc2nc(C)c(C)s2)cc([C@@H]2CN(Cc3cnn(C)c3C)CCO2)n1
InChIInChI=1S/C21H28N6OS/c1-13-8-18(25-21-24-14(2)16(4)29-21)9-19(23-13)20-12-27(6-7-28-20)11-17-10-22-26(5)15(17)3/h8-10,20H,6-7,11-12H2,1-5H3,(H,23,24,25)/t20-/m0/s1
InChIKeyQERFFQPLZQXIAN-FQEVSTJZSA-N
XLogP3.82
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-6-methyl-4-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-6-methyl-4-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine (CID 124994435) is N-[2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-6-methyl-4-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-6-methyl-4-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-6-methyl-4-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine is Cc1cc(Nc2nc(C)c(C)s2)cc([C@@H]2CN(Cc3cnn(C)c3C)CCO2)n1.
What is the InChIKey of N-[2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-6-methyl-4-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is QERFFQPLZQXIAN-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H28N6OS/c1-13-8-18(25-21-24-14(2)16(4)29-21)9-19(23-13)20-12-27(6-7-28-20)11-17-10-22-26(5)15(17)3/h8-10,20H,6-7,11-12H2,1-5H3,(H,23,24,25)/t20-/m0/s1.
What are the key properties of N-[2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-6-methyl-4-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine?
N-[2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-6-methyl-4-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 412.56 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-6-methyl-4-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 124994435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).