2-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1,3-thiazol-5-amine

C16H21N7S — CID 10268999

IUPAC2-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1,3-thiazol-5-amine
SMILESCC1CCN(c2ncc(N)s2)CC1N(C)c1ncnc2[nH]ccc12
InChIInChI=1S/C16H21N7S/c1-10-4-6-23(16-19-7-13(17)24-16)8-12(10)22(2)15-11-3-5-18-14(11)20-9-21-15/h3,5,7,9-10,12H,4,6,8,17H2,1-2H3,(H,18,20,21)
InChIKeyJAUIMPSXWZMZOR-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.35
Rot. Bonds3

About 2-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1,3-thiazol-5-amine

2-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1,3-thiazol-5-amine (PubChem CID 10268999) has the molecular formula C16H21N7S and a molecular weight of 343.46 g/mol. Its IUPAC name is 2-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1,3-thiazol-5-amine
PubChem CID10268999
Molecular FormulaC16H21N7S
Molecular Weight343.46 g/mol
Exact Mass343.16
IUPAC Name2-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1,3-thiazol-5-amine
SMILESCC1CCN(c2ncc(N)s2)CC1N(C)c1ncnc2[nH]ccc12
InChIInChI=1S/C16H21N7S/c1-10-4-6-23(16-19-7-13(17)24-16)8-12(10)22(2)15-11-3-5-18-14(11)20-9-21-15/h3,5,7,9-10,12H,4,6,8,17H2,1-2H3,(H,18,20,21)
InChIKeyJAUIMPSXWZMZOR-UHFFFAOYSA-N
XLogP2.35
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1,3-thiazol-5-amine?
The IUPAC name of 2-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1,3-thiazol-5-amine (CID 10268999) is 2-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1,3-thiazol-5-amine.
What is the SMILES notation for 2-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1,3-thiazol-5-amine?
The canonical SMILES for 2-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1,3-thiazol-5-amine is CC1CCN(c2ncc(N)s2)CC1N(C)c1ncnc2[nH]ccc12.
What is the InChIKey of 2-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1,3-thiazol-5-amine?
The InChIKey is JAUIMPSXWZMZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7S/c1-10-4-6-23(16-19-7-13(17)24-16)8-12(10)22(2)15-11-3-5-18-14(11)20-9-21-15/h3,5,7,9-10,12H,4,6,8,17H2,1-2H3,(H,18,20,21).
What are the key properties of 2-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1,3-thiazol-5-amine?
2-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1,3-thiazol-5-amine has a molecular weight of 343.46 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1,3-thiazol-5-amine is sourced from PubChem (CID 10268999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).