(2R)-2-amino-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-2-yl]pentanamide

C16H19N5OS — CID 165404749

IUPAC(2R)-2-amino-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-2-yl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1nc(-c2ccnc3[nH]ccc23)cs1
InChIInChI=1S/C16H19N5OS/c1-9(2)7-12(17)15(22)21-16-20-13(8-23-16)10-3-5-18-14-11(10)4-6-19-14/h3-6,8-9,12H,7,17H2,1-2H3,(H,18,19)(H,20,21,22)/t12-/m1/s1
InChIKeyHVQJGXLUPRDZGP-GFCCVEGCSA-N
MW329.43 g/mol
LogP3.00
Rot. Bonds5

About (2R)-2-amino-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-2-yl]pentanamide

(2R)-2-amino-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-2-yl]pentanamide (PubChem CID 165404749) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-2-yl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-2-yl]pentanamide
PubChem CID165404749
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name(2R)-2-amino-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-2-yl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1nc(-c2ccnc3[nH]ccc23)cs1
InChIInChI=1S/C16H19N5OS/c1-9(2)7-12(17)15(22)21-16-20-13(8-23-16)10-3-5-18-14-11(10)4-6-19-14/h3-6,8-9,12H,7,17H2,1-2H3,(H,18,19)(H,20,21,22)/t12-/m1/s1
InChIKeyHVQJGXLUPRDZGP-GFCCVEGCSA-N
XLogP3.00
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-2-yl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-2-yl]pentanamide (CID 165404749) is (2R)-2-amino-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-2-yl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-2-yl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-2-yl]pentanamide is CC(C)C[C@@H](N)C(=O)Nc1nc(-c2ccnc3[nH]ccc23)cs1.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-2-yl]pentanamide?
The InChIKey is HVQJGXLUPRDZGP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-9(2)7-12(17)15(22)21-16-20-13(8-23-16)10-3-5-18-14-11(10)4-6-19-14/h3-6,8-9,12H,7,17H2,1-2H3,(H,18,19)(H,20,21,22)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-2-yl]pentanamide?
(2R)-2-amino-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-2-yl]pentanamide has a molecular weight of 329.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-2-yl]pentanamide is sourced from PubChem (CID 165404749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).