N-[4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

C23H25N5OS — CID 71615654

IUPACN-[4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCN1CCN(c2cc(-c3ccc(-c4csc(NC(=O)C5CC5)n4)cc3)ccn2)CC1
InChIInChI=1S/C23H25N5OS/c1-27-10-12-28(13-11-27)21-14-19(8-9-24-21)16-2-4-17(5-3-16)20-15-30-23(25-20)26-22(29)18-6-7-18/h2-5,8-9,14-15,18H,6-7,10-13H2,1H3,(H,25,26,29)
InChIKeyFVRIVUROEXUOAN-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.97
Rot. Bonds5

About N-[4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-[4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 71615654) has the molecular formula C23H25N5OS and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID71615654
Molecular FormulaC23H25N5OS
Molecular Weight419.55 g/mol
Exact Mass419.18
IUPAC NameN-[4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCN1CCN(c2cc(-c3ccc(-c4csc(NC(=O)C5CC5)n4)cc3)ccn2)CC1
InChIInChI=1S/C23H25N5OS/c1-27-10-12-28(13-11-27)21-14-19(8-9-24-21)16-2-4-17(5-3-16)20-15-30-23(25-20)26-22(29)18-6-7-18/h2-5,8-9,14-15,18H,6-7,10-13H2,1H3,(H,25,26,29)
InChIKeyFVRIVUROEXUOAN-UHFFFAOYSA-N
XLogP3.97
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 71615654) is N-[4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is CN1CCN(c2cc(-c3ccc(-c4csc(NC(=O)C5CC5)n4)cc3)ccn2)CC1.
What is the InChIKey of N-[4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is FVRIVUROEXUOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5OS/c1-27-10-12-28(13-11-27)21-14-19(8-9-24-21)16-2-4-17(5-3-16)20-15-30-23(25-20)26-22(29)18-6-7-18/h2-5,8-9,14-15,18H,6-7,10-13H2,1H3,(H,25,26,29).
What are the key properties of N-[4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 419.55 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71615654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).