5-methyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholin-2-yl]methyl]-1,2-thiazole-4-carboxamide

C16H18N6O2S — CID 166434782

IUPAC5-methyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholin-2-yl]methyl]-1,2-thiazole-4-carboxamide
SMILESCc1sncc1C(=O)NCC1CN(c2ncc3cc[nH]c3n2)CCO1
InChIInChI=1S/C16H18N6O2S/c1-10-13(8-20-25-10)15(23)18-7-12-9-22(4-5-24-12)16-19-6-11-2-3-17-14(11)21-16/h2-3,6,8,12H,4-5,7,9H2,1H3,(H,18,23)(H,17,19,21)
InChIKeyPUTBJDOAUHQKFG-UHFFFAOYSA-N
MW358.43 g/mol
LogP1.36
Rot. Bonds4

About 5-methyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholin-2-yl]methyl]-1,2-thiazole-4-carboxamide

5-methyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholin-2-yl]methyl]-1,2-thiazole-4-carboxamide (PubChem CID 166434782) has the molecular formula C16H18N6O2S and a molecular weight of 358.43 g/mol. Its IUPAC name is 5-methyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholin-2-yl]methyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholin-2-yl]methyl]-1,2-thiazole-4-carboxamide
PubChem CID166434782
Molecular FormulaC16H18N6O2S
Molecular Weight358.43 g/mol
Exact Mass358.12
IUPAC Name5-methyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholin-2-yl]methyl]-1,2-thiazole-4-carboxamide
SMILESCc1sncc1C(=O)NCC1CN(c2ncc3cc[nH]c3n2)CCO1
InChIInChI=1S/C16H18N6O2S/c1-10-13(8-20-25-10)15(23)18-7-12-9-22(4-5-24-12)16-19-6-11-2-3-17-14(11)21-16/h2-3,6,8,12H,4-5,7,9H2,1H3,(H,18,23)(H,17,19,21)
InChIKeyPUTBJDOAUHQKFG-UHFFFAOYSA-N
XLogP1.36
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholin-2-yl]methyl]-1,2-thiazole-4-carboxamide with MolForge

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Related Compounds

4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66505270
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CID 125164960
N-hydroxy-2-[2-[(1-naphthalen-2-ylethenylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide
CID 142804321
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]-1H-imidazole-5-carboxamide
CID 136525043
N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-2H-triazole-4-carboxamide
CID 95726375
2-(1H-imidazol-2-yl)-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
CID 74250803
4-methyl-2-morpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
CID 20959640
2-fluoro-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 80712225
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide
CID 42670318
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 30538422
N-[(4-phenylmorpholin-2-yl)methyl]acetamide
CID 70790066
methyl 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholin-2-yl]acetate
CID 114448691

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholin-2-yl]methyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholin-2-yl]methyl]-1,2-thiazole-4-carboxamide (CID 166434782) is 5-methyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholin-2-yl]methyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholin-2-yl]methyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholin-2-yl]methyl]-1,2-thiazole-4-carboxamide is Cc1sncc1C(=O)NCC1CN(c2ncc3cc[nH]c3n2)CCO1.
What is the InChIKey of 5-methyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholin-2-yl]methyl]-1,2-thiazole-4-carboxamide?
The InChIKey is PUTBJDOAUHQKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S/c1-10-13(8-20-25-10)15(23)18-7-12-9-22(4-5-24-12)16-19-6-11-2-3-17-14(11)21-16/h2-3,6,8,12H,4-5,7,9H2,1H3,(H,18,23)(H,17,19,21).
What are the key properties of 5-methyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholin-2-yl]methyl]-1,2-thiazole-4-carboxamide?
5-methyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholin-2-yl]methyl]-1,2-thiazole-4-carboxamide has a molecular weight of 358.43 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholin-2-yl]methyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 166434782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).