N-[5-[[3-(1-methylpyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C19H23N5OS — CID 147006656

IUPACN-[5-[[3-(1-methylpyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(c3cc4cnccc4n3C)C2)s1
InChIInChI=1S/C19H23N5OS/c1-13(25)22-19-21-10-16(26-19)12-24-7-3-4-14(11-24)18-8-15-9-20-6-5-17(15)23(18)2/h5-6,8-10,14H,3-4,7,11-12H2,1-2H3,(H,21,22,25)
InChIKeyATBXECKAJAZQSW-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.37
Rot. Bonds4

About N-[5-[[3-(1-methylpyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[3-(1-methylpyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 147006656) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[5-[[3-(1-methylpyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-(1-methylpyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID147006656
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-[5-[[3-(1-methylpyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(c3cc4cnccc4n3C)C2)s1
InChIInChI=1S/C19H23N5OS/c1-13(25)22-19-21-10-16(26-19)12-24-7-3-4-14(11-24)18-8-15-9-20-6-5-17(15)23(18)2/h5-6,8-10,14H,3-4,7,11-12H2,1-2H3,(H,21,22,25)
InChIKeyATBXECKAJAZQSW-UHFFFAOYSA-N
XLogP3.37
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(1-methylpyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-(1-methylpyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 147006656) is N-[5-[[3-(1-methylpyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-(1-methylpyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-(1-methylpyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCCC(c3cc4cnccc4n3C)C2)s1.
What is the InChIKey of N-[5-[[3-(1-methylpyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ATBXECKAJAZQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-13(25)22-19-21-10-16(26-19)12-24-7-3-4-14(11-24)18-8-15-9-20-6-5-17(15)23(18)2/h5-6,8-10,14H,3-4,7,11-12H2,1-2H3,(H,21,22,25).
What are the key properties of N-[5-[[3-(1-methylpyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-(1-methylpyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 369.49 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(1-methylpyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 147006656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).